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1849-27-0,MFCD00160829
Catalog No.:AA00APHP

1849-27-0 | 1,4-Bis(phenylethynyl)benzene

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1g
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5g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00APHP
Chemical Name:
1,4-Bis(phenylethynyl)benzene
CAS Number:
1849-27-0
Molecular Formula:
C22H14
Molecular Weight:
278.3466
MDL Number:
MFCD00160829
SMILES:
c1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccccc1
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
407  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Rotatable Bond Count:
4  
XLogP3:
6.8  

Downstream Synthesis Route

[1]NewJournalofChemistry,2005,vol.29,p.972-976

[2]ChemischeBerichte,1958,vol.91,p.2472,2477

[3]ChemischeBerichte,1975,vol.108,p.528-537

[4]BulletinoftheChemicalSocietyofJapan,1961,vol.34,p.1827-1832

[1]ChemischeBerichte,1958,vol.91,p.1274,1277

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1963,p.2043-2045    IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1963,p.2213-2215

[2]JournalofOrganicChemistry,1966,vol.31,p.4071-4078

[1]JournaloftheChemicalSociety.PerkintransactionsI,1977,p.869-874

[1]ChemischeBerichte,1967,vol.100,p.828-835

Literature

Title: Superexchange mediated energy transfer in zinc(II) porphyrin-free base porphyrin dimers: comparison of m- and p-bis(phenylethynyl) phenylene linked dimers.

Journal: Physical chemistry chemical physics : PCCP 20110728

Title: A stereodynamic probe providing a chiroptical response to substrate-controlled induction of an axially chiral arylacetylene framework.

Journal: Journal of the American Chemical Society 20110302

Title: 1,4-Bis[(3,5-dimethoxy-phen-yl)ethyn-yl]benzene.

Journal: Acta crystallographica. Section E, Structure reports online 20090201

Title: Dependence of charge-transport parameters on static correlation and self-interaction energy: the case of a 1,4-bis(phenylethynyl)benzene derivative conjugated molecule.

Journal: The journal of physical chemistry. A 20081016

Title: Disilylphenylene and tetrasilylphenylene as a new building unit for highly fluorescent poly(aryleneethynylene)s.

Journal: Chemistry, an Asian journal 20080901

Title: 1,4-Bis[(2,6-dimethoxy-phen-yl)ethyn-yl]benzene.

Journal: Acta crystallographica. Section E, Structure reports online 20080601

Title: Spectroscopy and photophysics of 1,4-bis(phenylethynyl)benzene: effects of ring torsion and dark pi sigma* state.

Journal: The journal of physical chemistry. A 20080529

Title: Performance of multi-configurational calculations for a 1,4-bis(phenylethynyl)benzene derivative conjugated molecule.

Journal: Physical chemistry chemical physics : PCCP 20080507

Title: Theoretical studies on graphyne substructures: geometry, aromaticity, and electronic properties of the multiply fused dehydrobenzo[12]annulenes.

Journal: The Journal of organic chemistry 20070216

Title: Photodecomposition of peroxides containing a 1,4-bis(phenylethynyl)benzene chromophore.

Journal: The journal of physical chemistry. A 20060420

Title: Photophysical and theoretical investigations of oligo(p-phenyleneethynylene)s: effect of alkoxy substitution and alkyne-aryl bond rotations.

Journal: The journal of physical chemistry. A 20060406

Title: Cavity ring-down spectroscopy of the torsional motions of 1,4-bis(phenylethynyl)benzene.

Journal: The journal of physical chemistry. A 20060216

Title: Nanoscale aryleneethynylene oligomers incorporating fluorenone units as electron-dopable molecular wires.

Journal: Faraday discussions 20060101

Title: A new series of pyrimidine-containing linear molecules: their elegant crystal structures and intriguing photophysical properties.

Journal: The Journal of organic chemistry 20041112

Title: A re-evaluation of the photophysical properties of 1,4-bis(phenylethynyl)benzene: a model for poly(phenyleneethynylene).

Journal: Journal of the American Chemical Society 20020717

Title: 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: Journal of the American Chemical Society 20010509

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