Chem
J-GLOBAL ID：201207052647280647   Nikkaji number：J3.048.588B

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

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-ジオクチルベンゼン
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： C86H94
Molecular formula furigana： C86-H94
Molecular weight： 1127.698
InChI： InChI=1S/C86H94/c1-5-9-13-17-21-25-29-71-33-37-73(38-34-71)41-43-75-45-49-77(50-46-75)53-55-79-57-61-81(62-58-79)65-67-85-69-84(32-28-24-20-16-12-8-4)86(70-83(85)31-27-23-19-15-11-7-3)68-66-82-63-59-80(60-64-82)56-54-78-51-47-76(48-52-78)44-42-74-39-35-72(36-40-74)30-26-22-18-14-10-6-2/h33-40,45-52,57-64,69-70H,5-32H2,1-4H3
InChI key： PQVFVGWRTCSKAF-UHFFFAOYSA-N
SMILES： CCCCCCCCc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc(CCCCCCCC)c(cc1CCCCCCCC)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-ジオクチルベンゼン
  • 1,4-ジオクチル-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-dioctyl-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-dioctylbenzene
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