Chem
J-GLOBAL ID：200907059552058393   Nikkaji number：J2.329.862G

2,6-Bis[4-(4-pyridylethynyl)phenyl]benzoic acid

2,6-ビス[4-(4-ピリジルエチニル)フェニル]安息香酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C33H20N2O2
Molecular formula furigana： C33-H20-N2-O2
Molecular weight： 476.535
InChI： InChI=1S/C33H20N2O2/c36-33(37)32-30(28-12-8-24(9-13-28)4-6-26-16-20-34-21-17-26)2-1-3-31(32)29-14-10-25(11-15-29)5-7-27-18-22-35-23-19-27/h1-3,8-23H,(H,36,37)
InChI key： ILGZKOQFADHXBM-UHFFFAOYSA-N
SMILES： OC(=O)c1c(cccc1c1ccc(cc1)C#Cc1ccncc1)c1ccc(cc1)C#Cc1ccncc1
Systematic name  (3)：
  • 2,6-ビス[4-(4-ピリジルエチニル)フェニル]安息香酸
  • 4'-[2-(ピリジン-4-イル)エチニル]-3-{4-[2-(ピリジン-4-イル)エチニル]フェニル}-[1,1'-ビフェニル]-2-カルボン酸
  • 4'-[2-(pyridin-4-yl)ethynyl]-3-{4-[2-(pyridin-4-yl)ethynyl]phenyl}-[1,1'-biphenyl]-2-carboxylic acid
Other name (1)：
  • 2,6-Bis[4-(4-pyridylethynyl)phenyl]benzoic acid
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