Chem
J-GLOBAL ID：201207022193502490   Nikkaji number：J3.048.594G

1,4-Bis[4-[4-(4-octylphenylethynyl)phenylethynyl]phenylethynyl]-2,5-dihexylbenzene

1,4-ビス[4-[4-(4-オクチルフェニルエチニル)フェニルエチニル]フェニルエチニル]-2,5-ジヘキシルベンゼン
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： C82H86
Molecular formula furigana： C82-H86
Molecular weight： 1071.590
InChI： InChI=1S/C82H86/c1-5-9-13-17-19-21-25-67-29-33-69(34-30-67)37-39-71-41-45-73(46-42-71)49-51-75-53-57-77(58-54-75)61-63-81-65-80(28-24-16-12-8-4)82(66-79(81)27-23-15-11-7-3)64-62-78-59-55-76(56-60-78)52-50-74-47-43-72(44-48-74)40-38-70-35-31-68(32-36-70)26-22-20-18-14-10-6-2/h29-36,41-48,53-60,65-66H,5-28H2,1-4H3
InChI key： QEZGMPAWLPCYDN-UHFFFAOYSA-N
SMILES： CCCCCCCCc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc(CCCCCC)c(cc1CCCCCC)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(CCCCCCCC)cc1
Systematic name  (3)：
  • 1,4-ビス[4-[4-(4-オクチルフェニルエチニル)フェニルエチニル]フェニルエチニル]-2,5-ジヘキシルベンゼン
  • 1,4-ジヘキシル-2,5-ビス({2-[4-(2-{4-[2-(4-オクチルフェニル)エチニル]フェニル}エチニル)フェニル]エチニル})ベンゼン
  • 1,4-dihexyl-2,5-bis({2-[4-(2-{4-[2-(4-octylphenyl)ethynyl]phenyl}ethynyl)phenyl]ethynyl})benzene
Other name (1)：
  • 1,4-Bis[4-[4-(4-octylphenylethynyl)phenylethynyl]phenylethynyl]-2,5-dihexylbenzene
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