Home Other Building Blocks trans,trans-1,4-Diphenyl-1,3-butadiene

trans,trans-1,4-Diphenyl-1,3-butadiene

CAS No.:
538-81-8
Catalog Number:
AG0035PG
Molecular Formula:
C16H14
Molecular Weight:
206.2824
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Product Description
Catalog Number:
AG0035PG
Chemical Name:
trans,trans-1,4-Diphenyl-1,3-butadiene
CAS Number:
538-81-8
Molecular Formula:
C16H14
Molecular Weight:
206.2824
MDL Number:
MFCD00004791
IUPAC Name:
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
InChI:
InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
InChI Key:
JFLKFZNIIQFQBS-FNCQTZNRSA-N
SMILES:
C(=C\c1ccccc1)/C=C/c1ccccc1
EC Number:
212-952-6
UNII:
R7P15V6543
NSC Number:
316
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
206.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.288g/mol
Monoisotopic Mass:
206.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  
Literature
Title Journal
Synthesis and evaluation of 1,4-diphenylbutadiene derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) production. Bioorganic & medicinal chemistry 20100301
Toward quantitative prediction of molecular fluorescence quantum efficiency: role of duschinsky rotation. Journal of the American Chemical Society 20070801
Synthesis of 1,4-diphenylbutadiene derivatives: novel inducer of tissue-type plasminogen activator (t-PA) in cultured bovine endothelial cells. Chemical & pharmaceutical bulletin 20061201
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
The vibrational structure of (E,E')-1,4-diphenyl-1,3-butadiene Linear dichroism FT-IR spectroscopy and quantum chemical calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20061101
Poly(diacetylene)-nanofibers can be fabricated through photo-irradiation using natural polysaccharide schizophyllan as a one-dimensional mold. Organic & biomolecular chemistry 20051221
Docking studies on monoamine oxidase-B inhibitors: estimation of inhibition constants (K(i)) of a series of experimentally tested compounds. Bioorganic & medicinal chemistry letters 20051015
Migration modelling from food-contact plastics into foodstuffs as a new tool for consumer exposure estimation. Food additives and contaminants 20051001
Feasibility study for the development of certified reference materials for specific migration testing. Part 2: estimation of diffusion parameters and comparison of experimental and predicted data. Food additives and contaminants 20050201
3,4',5-Trihydroxy-trans-stilbene (resveratrol) inhibits human cytomegalovirus replication and virus-induced cellular signaling. Antiviral research 20040801
Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor. Chemical research in toxicology 20031001
Magnetic field effect on the exciplex between all-s-trans- 1,4-diphenylbuta- 1,3-diene and 1,4-dicyanobenzene: a comparative study with other alpha,omega-diphenyl polyenes. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20010401
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens. Chemical research in toxicology 20010301
Properties