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Coronene

CAS No.:
191-07-1
Catalog Number:
AG002EZ1
Molecular Formula:
C24H12
Molecular Weight:
300.3521
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
>98.0%(HPLC)
1 week
United States
$255
- +
1g
>80.0%(HPLC)
1 week
United States
$295
- +
5g
>80.0%(HPLC)
1 week
United States
$955
- +
Product Description
Catalog Number:
AG002EZ1
Chemical Name:
Coronene
CAS Number:
191-07-1
Molecular Formula:
C24H12
Molecular Weight:
300.3521
MDL Number:
MFCD00004134
IUPAC Name:
coronene
InChI:
InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H
InChI Key:
VPUGDVKSAQVFFS-UHFFFAOYSA-N
SMILES:
c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1
EC Number:
205-881-7
UNII:
7YY0X5XT1W
NSC Number:
90725
Properties
Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.094g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.36g/mol
Monoisotopic Mass:
300.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2  
Literature
Title Journal
Hexathienocoronenes: synthesis and self-organization. Journal of the American Chemical Society 20121031
A benchmark comparison of σ/σ and π/π dispersion: the dimers of naphthalene and decalin, and coronene and perhydrocoronene. Journal of the American Chemical Society 20121024
On the aromatic stabilization of benzenoid hydrocarbons. Chemical communications (Cambridge, England) 20121018
Effect of fluorine substitution on the aromaticity of polycyclic hydrocarbons. The journal of physical chemistry. A 20121018
Role of substrate in directing the self-assembly of multicomponent supramolecular networks at the liquid-solid interface. ACS nano 20120925
Bond-order discrimination by atomic force microscopy. Science (New York, N.Y.) 20120914
Self-assembly of conjugated oligomers and polymers at the interface: structure and properties. Nanoscale 20120807
Theoretical characterization of the BN and BP coronenes by IR, Raman, and UV-VIS spectra. The Journal of chemical physics 20120728
Coupled cluster and density functional theory calculations of atomic hydrogen chemisorption on pyrene and coronene as model systems for graphene hydrogenation. The journal of physical chemistry. A 20120705
Self-assembled hexanuclear organometallic cages: synthesis, characterization, and host-guest properties. Chemistry, an Asian journal 20120601
Dicarboxylate-bridged ruthenium complexes as building blocks for molecular nanostructures. Inorganic chemistry 20120521
Absence of photoemission from the Fermi level in potassium intercalated picene and coronene films: structure, polaron, or correlation physics? The Journal of chemical physics 20120407
Automobile tires--a potential source of highly carcinogenic dibenzopyrenes to the environment. Environmental science & technology 20120320
Overcoming the high-temperature two-dimensional gas chromatography limits to elute heavy compounds. Journal of chromatography. A 20120316
Where to bind in buckybowls? The dilemma of a metal ion. Physical chemistry chemical physics : PCCP 20120307
Probing the electronic state of a single coronene molecule by the emission from proximate fluorophores. Chemphyschem : a European journal of chemical physics and physical chemistry 20120301
Ge(001) as a template for long-range assembly of π-stacked coronene rows. Langmuir : the ACS journal of surfaces and colloids 20120227
Arylthio-substituted coronenes as tailored building blocks for molecular electronics. Physical chemistry chemical physics : PCCP 20120207
Fluorescent coronene monoimide gels via H-bonding induced frustrated dipolar assembly. Chemical communications (Cambridge, England) 20120201
Porphyrins fused with unactivated polycyclic aromatic hydrocarbons. The Journal of organic chemistry 20120106
Carpet-dust chemicals as measures of exposure: Implications of variability. Emerging themes in epidemiology 20120101
Detection of hydrogen using graphene. Nanoscale research letters 20120101
Source apportionment of particle bound polycyclic aromatic hydrocarbons at an industrial location in Agra, India. TheScientificWorldJournal 20120101
Traffic-related air pollution and DNA damage: a longitudinal study in Taiwanese traffic conductors. PloS one 20120101
On the aromatic stabilization of corannulene and coronene. Physical chemistry chemical physics : PCCP 20111214
Topological ring-currents and bond-currents in some nonalternant isomers of coronene. The journal of physical chemistry. A 20111201
Improved efficiency of extraction of polycyclic aromatic hydrocarbons (PAHs) from the National Institute of Standards and Technology (NIST) Standard Reference Material Diesel Particulate Matter (SRM 2975) using accelerated solvent extraction. Analytical and bioanalytical chemistry 20111201
Photoelectron spectroscopic study of iron-pyrene cluster anions. The Journal of chemical physics 20111128
Assessing the polycyclic aromatic hydrocarbon anisotropic potential with application to the exfoliation energy of graphite. The journal of physical chemistry. A 20111124
Incorporation dynamics of molecular guests into two-dimensional supramolecular host networks at the liquid-solid interface. Langmuir : the ACS journal of surfaces and colloids 20111115
Derivatization and functionalization of molecular matrix by hydrogen bond at liquid-solid interface. Journal of nanoscience and nanotechnology 20111101
Fabrication of nanoporous networks with tunable triangular cavities with a molecular template. Journal of nanoscience and nanotechnology 20111101
Electric-field response of discotic hexabenzocoronene (HBC) liquid crystals. Molecules (Basel, Switzerland) 20111031
Electric field polarization in conventional density functional theory: from quasilinear to two-dimensional and three-dimensional extended systems. The Journal of chemical physics 20111021
Accurate description of argon and water adsorption on surfaces of graphene-based carbon allotropes. The journal of physical chemistry. A 20111020
Electronic absorption spectra of protonated pyrene and coronene in neon matrixes. The journal of physical chemistry. A 20111013
Synthesis of graphene nanoribbons encapsulated in single-walled carbon nanotubes. Nano letters 20111012
Metal-intercalated aromatic hydrocarbons: a new class of carbon-based superconductors. Physical chemistry chemical physics : PCCP 20111006
Heterogeneous bilayer molecular structure at a liquid-solid interface. Nanoscale 20110901
Switchable ternary nanoporous supramolecular network on photo-regulation. Nano letters 20110810
Sample preparation procedure for the determination of polycyclic aromatic hydrocarbons in petroleum vacuum residue and bitumen. Analytical and bioanalytical chemistry 20110801
Neustonic versus epiphytic bacteria of eutrophic lake and their biodegradation ability on deltamethrin. Biodegradation 20110701
Efficient analysis of non-polar environmental contaminants by MALDI-TOF MS with graphene as matrix. Journal of the American Society for Mass Spectrometry 20110701
A versatile Fréchet-dendron compound unifies host-guest and templated heterogeneous self-assembly. Advanced materials (Deerfield Beach, Fla.) 20110517
Coaxially stacked coronene columns inside single-walled carbon nanotubes. Angewandte Chemie (International ed. in English) 20110516
Photochemistry of coronene with water at 10 K: first tentative identification by infrared spectroscopy of oxygen containing coronene products. Physical chemistry chemical physics : PCCP 20110428
Competitive reaction pathways for functionalization and volatilization in the heterogeneous oxidation of coronene thin films by hydroxyl radicals and ozone. Physical chemistry chemical physics : PCCP 20110428
Pyrene: hydrogenation, hydrogen evolution, and π-band model. The Journal of chemical physics 20110428
Binding of hydrogen on benzene, coronene, and graphene from quantum Monte Carlo calculations. The Journal of chemical physics 20110407
A self-assembled M8L6 cubic cage that selectively encapsulates large aromatic guests. Angewandte Chemie (International ed. in English) 20110404
Multicomponent direct detection of polycyclic aromatic hydrocarbons by surface-enhanced Raman spectroscopy using silver nanoparticles functionalized with the viologen host lucigenin. Analytical chemistry 20110401
Can the Gibbs free energy of adsorption be predicted efficiently and accurately: an M05-2X DFT study. The journal of physical chemistry. A 20110324
Laser-induced acoustic desorption/atmospheric pressure chemical ionization mass spectrometry. Journal of the American Society for Mass Spectrometry 20110301
Molecular dynamics simulations on [FePAH]+ π-complexes of astrophysical interest: anharmonic infrared spectroscopy. Physical chemistry chemical physics : PCCP 20110227
Size-selective carbon nanoclusters as precursors to the growth of epitaxial graphene. Nano letters 20110209
Dissociation and multiple ionization energies for five polycyclic aromatic hydrocarbon molecules. The Journal of chemical physics 20110128
High-resolution electron spectroscopy, preferential metal-binding sites, and thermochemistry of lithium complexes of polycyclic aromatic hydrocarbons. The Journal of chemical physics 20110114
Solvation structure of coronene-transition metal complex: a RISM-SCF study. Physical chemistry chemical physics : PCCP 20110107
Guest-induced growth of a surface-based supramolecular bilayer. Nature chemistry 20110101
Designing novel Sn-Bi, Si-C and Ge-C nanostructures, using simple theoretical chemical similarities. Nanoscale research letters 20110101
In vitro toxicity of particulate matter (PM) collected at different sites in the Netherlands is associated with PM composition, size fraction and oxidative potential--the RAPTES project. Particle and fibre toxicology 20110101
Two-dimensional structures of anthracene derivatives: photodimerization and host-guest chemistry. The journal of physical chemistry. B 20101223
Stability of coronene at high temperature and pressure. The journal of physical chemistry. B 20101209
Synthesis, self-assembly, and charge transporting property of contorted tetrabenzocoronenes. The Journal of organic chemistry 20101203
Electronic absorption spectroscopy of polycyclic aromatic hydrocarbons (PAHs) radical cations generated in oleum: a superacid medium. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20101201
Delocalized π state between molecules through a surface confined pseudodihydrogen bond. Physical review letters 20101126
A coordination cage with an adaptable cavity size. Journal of the American Chemical Society 20101013
Quantum mechanics based force field for carbon (QMFF-Cx) validated to reproduce the mechanical and thermodynamics properties of graphite. The Journal of chemical physics 20101007
Multidimensionality of delocalization indices and nucleus-independent chemical shifts in polycyclic aromatic hydrocarbons II: proof of further nonlocality. Journal of computational chemistry 20100901
Femtosecond electron spectroscopy of coronene, benzo[GHI]perylene, and anthracene. The Journal of chemical physics 20100821
Modeling water clusters on cationic carbonaceous seeds. The journal of physical chemistry. A 20100715
Electronic structure of large disc-type donors and acceptors. Physical chemistry chemical physics : PCCP 20100714
Rupture mechanism of aromatic systems from graphite probed with molecular dynamics simulations. Langmuir : the ACS journal of surfaces and colloids 20100706
Study of polycyclic aromatic hydrocarbons adsorbed on graphene using density functional theory with empirical dispersion correction. Physical chemistry chemical physics : PCCP 20100628
Benchmark calculations of water-acene interaction energies: Extrapolation to the water-graphene limit and assessment of dispersion-corrected DFT methods. Physical chemistry chemical physics : PCCP 20100628
DFT/CC investigation of physical adsorption on a graphite (0001) surface. Physical chemistry chemical physics : PCCP 20100628
Synthesis and controllable self-assembly of a novel coronene bisimide amphiphile. Organic letters 20100604
Solvent-controlled 2D host-guest (2,7,12-trihexyloxytruxene/coronene) molecular nanostructures at organic liquid/solid interface investigated by scanning tunneling microscopy. Langmuir : the ACS journal of surfaces and colloids 20100601
Correlations between local aromaticity indices of bipartite conjugated hydrocarbons. The journal of physical chemistry. A 20100513
Size-resolved organic speciation of wintertime aerosols in California's Central Valley. Environmental science & technology 20100401
Carbohydrate-aromatic interactions: the role of curvature on XH...pi interactions. The journal of physical chemistry. A 20100401
Finite temperature infrared spectroscopy of polycyclic aromatic hydrocarbon molecules: path-integral molecular dynamics. The Journal of chemical physics 20100328
Flat-panel electronic displays: a triumph of physics, chemistry and engineering. Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 20100313
Coronene nanophase within coordination spheres: increased solubility of C60. Journal of the American Chemical Society 20100303
Hexabenzocoronene graphitic nanotube appended with dithienylethene pendants: photochromism for the modulation of photoconductivity. Advanced materials (Deerfield Beach, Fla.) 20100216
Nanographene-constructed hollow carbon spheres and their favorable electroactivity with respect to lithium storage. Advanced materials (Deerfield Beach, Fla.) 20100216
Interactions of graphene sheets deduced from properties of polycyclic aromatic hydrocarbons. The Journal of chemical physics 20100128
Detailed kinetic Monte Carlo simulations of graphene-edge growth. The journal of physical chemistry. A 20100121
Assignment of phantom bands in the solid-state infrared and Raman spectra of coronene: The importance of a minute out-of-plane distortion. The Journal of chemical physics 20100121
Size-selective effects on fullerene adsorption by nanoporous molecular networks. Small (Weinheim an der Bergstrasse, Germany) 20100101
Anchoring of a single molecular rotor and its array on metal surfaces using molecular design and self-assembly. International journal of molecular sciences 20100101
NMR tensors in planar hydrocarbons of increasing size. Physical chemistry chemical physics : PCCP 20091228
Cross linking of gold nanoparticles with hexa-peri-hexabenzocoronene derivatives. Journal of nanoscience and nanotechnology 20091101
Quantitative XPS depth profiling of codeine loaded poly(l-lactic acid) films using a coronene ion sputter source. Journal of controlled release : official journal of the Controlled Release Society 20090819
Electron energy loss spectroscopy and anion formation in gas phase coronene. Physical chemistry chemical physics : PCCP 20090721
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Study of the interaction between water and hydrogen sulfide with polycyclic aromatic hydrocarbons. The Journal of chemical physics 20090621
Towards high charge-carrier mobilities by rational design of the shape and periphery of discotics. Nature materials 20090501
Photodissociation of [Fe(x)(C24H12)y]+ complexes in the PIRENEA setup: iron-polycyclic aromatic hydrocarbon clusters as candidates for very small interstellar grains. The journal of physical chemistry. A 20090430
Hydrogen storage based on physisorption. The journal of physical chemistry. B 20090409
Study of binding affinity and selectivity of perylene and coronene derivatives towards duplex and quadruplex DNA by ESI-MS. Journal of mass spectrometry : JMS 20090401
In situ scanning tunneling microscopy on the dynamic process of the replacement of coronene on au (111) by 6-mercapto-1-hexanol. Langmuir : the ACS journal of surfaces and colloids 20090203
Assessment of atmospheric PAHs profile through Calotropis gigantea R.Br. leaves in the vicinity of an Indian coal-fired power plant. Environmental monitoring and assessment 20090201
Sensing polycyclic aromatic hydrocarbons with dithiocarbamate-functionalized ag nanoparticles by surface-enhanced Raman scattering. Analytical chemistry 20090201
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Photoelectron spectroscopic and theoretical studies of Fe(m)-(coronene)n (m=1,2, n=1,2) complexes. The Journal of chemical physics 20080821
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Properties of C84 and C24H12 molecular ion sources for routine TOF-SIMS analysis. Analytical chemistry 20071001
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Size distribution of trace organic species emitted from heavy-duty diesel vehicles. Environmental science & technology 20070315
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Full spectral decomposition of ring currents. The journal of physical chemistry. A 20061130
Trends in polycyclic aromatic hydrocarbon concentrations in the great lakes atmosphere. Environmental science & technology 20061015
Pilot study on road traffic emissions (PAHs, heavy metals) measured by using mosses in a tunnel experiment in Vienna, Austria. Environmental science and pollution research international 20061001
Controllable distribution of single molecules and peptides within oligomer template investigated by STM. Journal of the American Chemical Society 20060927
Super-delocalized valence isomer of coronene. The Journal of organic chemistry 20060901
Single-molecule dynamics in a self-assembled 2D molecular sieve. Nano letters 20060701
Designing ring-current patterns: [10,5]-coronene, a circulene with inverted rim and hub currents. The journal of physical chemistry. A 20060615
Distribution of pesticides, PAHs and heavy metals in prawn ponds near Kolleru lake wetland, India. Environment international 20060401
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Fluorescence decays and photon propagation times. Journal of fluorescence 20060301
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ESR and theoretical studies of trimer radical cations of coronene. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060101
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Arginine magic with new counterions up the sleeve. Organic & biomolecular chemistry 20050507
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A search for a strong physisorption site for H2 in Li-doped porous carbons. The Journal of chemical physics 20041222
A combined chemical and bioassay analysis of traffic-emitted polycyclic aromatic hydrocarbons. The Science of the total environment 20041201
Radiation damage in coronene, rubrene and p-terphenyl, measured for incident electrons of kinetic energy between 100 and 200 kev. Ultramicroscopy 20041101
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Star-Shaped nanomolecules based on p-phenylene sulfide asterisks with a persulfurated coronene core. Chemistry (Weinheim an der Bergstrasse, Germany) 20040621
Molecular satellite dishes: attaching parabolic and planar arenes to heterofullerenes. Chemical communications (Cambridge, England) 20040407
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An assessment of the concentrations of particulate polycyclic aromatic hydrocarbons (PAHs) in the aftermath of a chemical store fire incident. Journal of environmental sciences (China) 20040101
PFG-assisted selection and suppression of 1H NMR signals in the solid state under fast MAS. Journal of magnetic resonance (San Diego, Calif. : 1997) 20031101
Low-dose, low-temperature convergent-beam electron diffraction and multiwavelength analysis of hydrocarbon films by electron diffraction. Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada 20031001
Lithium-cation/pi complexes of aromatic systems. The effect of increasing the number of fused rings. Journal of the American Chemical Society 20030827
Spatial and temporal PAH concentrations in Zaragoza, Spain. The Science of the total environment 20030520
High-resolution record of pyrogenic polycyclic aromatic hydrocarbon deposition during the 20th century. Environmental science & technology 20030101
Polycyclic aromatic hydrocarbons in mountain soils of the subtropical Atlantic. Journal of environmental quality 20030101
STM and STS of coronene on HOPG 0001 in UHV - adsorption of the smallest possible graphite flakes on graphite. Analytical and bioanalytical chemistry 20021001
Profiles of PAH emission from steel and iron industries. Chemosphere 20020901
Electron-capture detector and multiple negative ions of aromatic hydrocarbons. Journal of chromatography. A 20020405
Development of fluorescent markers using polycyclic aromatic hydrocarbons with vaseline. Journal of forensic sciences 20020301
On the belt and moebius isomers of the coronene molecule. Journal of chemical information and computer sciences 20020101
Comparative supramolecular chemistry of coronene, hexahelicene, and [18]crown-6: hydrated and solvated molecular complexes of [18]crown-6 with 5-hydroxyisophthalic acid and related di- and tricarboxylic acids. Chemistry (Weinheim an der Bergstrasse, Germany) 20011119
Evolution of absorption, fluorescence, laser and chemical properties in the series of compounds perylene, benzo(ghi)perylene and coronene. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20011101
A novel fluorescent coronenyl-phospholipid analogue for investigations of submicrosecond lipid fluctuations. Chemistry and physics of lipids 20010201
Properties