Home Other Building Blocks 1,4-Bis(phenylethynyl)benzene

1,4-Bis(phenylethynyl)benzene

CAS No.:
1849-27-0
Catalog Number:
AG00APKH
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$78
- +
5g
97%
1 week
United States
$162
- +
Product Description
Catalog Number:
AG00APKH
Chemical Name:
1,4-Bis(phenylethynyl)benzene
CAS Number:
1849-27-0
MDL Number:
MFCD00160829
IUPAC Name:
1,4-bis(2-phenylethynyl)benzene
InChI:
InChI=1S/C22H14/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-10,15-18H
InChI Key:
FPVSTPLZJLYNMB-UHFFFAOYSA-N
Properties
Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.11g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.354g/mol
Monoisotopic Mass:
278.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8  
Literature
Title Journal
Superexchange mediated energy transfer in zinc(II) porphyrin-free base porphyrin dimers: comparison of m- and p-bis(phenylethynyl) phenylene linked dimers. Physical chemistry chemical physics : PCCP 20110728
A stereodynamic probe providing a chiroptical response to substrate-controlled induction of an axially chiral arylacetylene framework. Journal of the American Chemical Society 20110302
1,4-Bis[(3,5-dimethoxy-phen-yl)ethyn-yl]benzene. Acta crystallographica. Section E, Structure reports online 20090201
Dependence of charge-transport parameters on static correlation and self-interaction energy: the case of a 1,4-bis(phenylethynyl)benzene derivative conjugated molecule. The journal of physical chemistry. A 20081016
Disilylphenylene and tetrasilylphenylene as a new building unit for highly fluorescent poly(aryleneethynylene)s. Chemistry, an Asian journal 20080901
1,4-Bis[(2,6-dimethoxy-phen-yl)ethyn-yl]benzene. Acta crystallographica. Section E, Structure reports online 20080601
Spectroscopy and photophysics of 1,4-bis(phenylethynyl)benzene: effects of ring torsion and dark pi sigma* state. The journal of physical chemistry. A 20080529
Performance of multi-configurational calculations for a 1,4-bis(phenylethynyl)benzene derivative conjugated molecule. Physical chemistry chemical physics : PCCP 20080507
Theoretical studies on graphyne substructures: geometry, aromaticity, and electronic properties of the multiply fused dehydrobenzo[12]annulenes. The Journal of organic chemistry 20070216
Photodecomposition of peroxides containing a 1,4-bis(phenylethynyl)benzene chromophore. The journal of physical chemistry. A 20060420
Photophysical and theoretical investigations of oligo(p-phenyleneethynylene)s: effect of alkoxy substitution and alkyne-aryl bond rotations. The journal of physical chemistry. A 20060406
Cavity ring-down spectroscopy of the torsional motions of 1,4-bis(phenylethynyl)benzene. The journal of physical chemistry. A 20060216
Nanoscale aryleneethynylene oligomers incorporating fluorenone units as electron-dopable molecular wires. Faraday discussions 20060101
A new series of pyrimidine-containing linear molecules: their elegant crystal structures and intriguing photophysical properties. The Journal of organic chemistry 20041112
A re-evaluation of the photophysical properties of 1,4-bis(phenylethynyl)benzene: a model for poly(phenyleneethynylene). Journal of the American Chemical Society 20020717
Steps to demarcate the effects of chromophore aggregation and planarization in poly(phenyleneethynylene)s. 1. Rotationally interrupted conjugation in the excited states of 1,4-bis(phenylethynyl)benzene. Journal of the American Chemical Society 20010509
Properties