Chem
J-GLOBAL ID：200907002763178857
Nikkaji number：J860.032E
3-(4-p-Tolyl-1,3-butadiynyl)-5-(p-tolylethynyl)-4′-methyl-1,1′-biphenyl
3-(4-p-トリル-1,3-ブタジイニル)-5-(p-トリルエチニル)-4′-メチル-1,1′-ビフェニル
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
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
Molecular formula： C33H24
Molecular formula furigana： C33-H24
Molecular weight： 420.555
InChI：
InChI=1S/C33H24/c1-25-8-14-28(15-9-25)6-4-5-7-30-22-31(19-18-29-16-10-26(2)11-17-29)24-33(23-30)32-20-12-27(3)13-21-32/h8-17,20-24H,1-3H3
InChI key：
ZEKLLMNMNYRBMS-UHFFFAOYSA-N
SMILES：
Cc1ccc(cc1)C#CC#Cc1cc(cc(c1)c1ccc(C)cc1)C#Cc1ccc(C)cc1
Systematic name (3)：
- 3-(4-p-トリル-1,3-ブタジイニル)-5-(p-トリルエチニル)-4′-メチル-1,1′-ビフェニル
- 4'-メチル-3-[4-(4-メチルフェニル)ブタ-1,3-ジイン-1-イル]-5-[2-(4-メチルフェニル)エチニル]-1,1'-ビフェニル
- 4'-methyl-3-[4-(4-methylphenyl)buta-1,3-diyn-1-yl]-5-[2-(4-methylphenyl)ethynyl]-1,1'-biphenyl
- 3-(4-p-Tolyl-1,3-butadiynyl)-5-(p-tolylethynyl)-4′-methyl-1,1′-biphenyl
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