Chem
J-GLOBAL ID：200907021583575143   Nikkaji number：J2.714.281H

1,4-Bis[4′-(hexyloxy)-4-biphenylyl]-1,3-butadiyne

1,4-ビス[4′-(ヘキシルオキシ)-4-ビフェニリル]-1,3-ブタジイン
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： C40H42O2
Molecular formula furigana： C40-H42-O2
Molecular weight： 554.774
InChI： InChI=1S/C40H42O2/c1-3-5-7-11-31-41-39-27-23-37(24-28-39)35-19-15-33(16-20-35)13-9-10-14-34-17-21-36(22-18-34)38-25-29-40(30-26-38)42-32-12-8-6-4-2/h15-30H,3-8,11-12,31-32H2,1-2H3
InChI key： PXRFKVUVRSWACY-UHFFFAOYSA-N
SMILES： CCCCCCOc1ccc(cc1)c1ccc(cc1)C#CC#Cc1ccc(cc1)c1ccc(OCCCCCC)cc1
Systematic name  (4)：
  • 1,4-ビス[4′-(ヘキシルオキシ)-4-ビフェニリル]-1,3-ブタジイン
  • 4,4′′-(1,3-ブタジイン-1,4-ジイル)ビス[4′-(ヘキシルオキシ)ビフェニル]
  • 4-(ヘキシルオキシ)-4'-{4-[4'-(ヘキシルオキシ)-[1,1'-ビフェニル]-4-イル]ブタ-1,3-ジイン-1-イル}-1,1'-ビフェニル
  • 4-(hexyloxy)-4'-{4-[4'-(hexyloxy)-[1,1'-biphenyl]-4-yl]buta-1,3-diyn-1-yl}-1,1'-biphenyl
Other name (2)：
  • 1,4-Bis[4′-(hexyloxy)-4-biphenylyl]-1,3-butadiyne
  • 4,4′′-(1,3-Butadiyne-1,4-diyl)bis[4′-(hexyloxy)biphenyl]
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