Chem
J-GLOBAL ID：201207068800222647   Nikkaji number：J3.048.599H

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

1,4-ビス[4-[2,5-ジエチル-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： C90H102
Molecular formula furigana： C90-H102
Molecular weight： 1183.806
InChI： InChI=1S/C90H102/c1-9-17-21-25-27-29-33-71-37-41-73(42-38-71)53-59-85-65-81(15-7)87(67-79(85)13-5)61-55-75-45-49-77(50-46-75)57-63-89-69-84(36-32-24-20-12-4)90(70-83(89)35-31-23-19-11-3)64-58-78-51-47-76(48-52-78)56-62-88-68-80(14-6)86(66-82(88)16-8)60-54-74-43-39-72(40-44-74)34-30-28-26-22-18-10-2/h37-52,65-70H,9-36H2,1-8H3
InChI key： NUGBZLZQXPMQPN-UHFFFAOYSA-N
SMILES： CCCCCCCCc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(cc1)C#Cc1cc(CCCCCC)c(cc1CCCCCC)C#Cc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(CCCCCCCC)cc1
Systematic name  (3)：
  • 1,4-ビス[4-[2,5-ジエチル-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-(2-{4-[2-(4-{2-[4-(2-{2,5-ジエチル-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}-2,5-ジヘキシルフェニル)エチニル]フェニル}エチニル)-2,5-ジエチル-4-[2-(4-オクチルフェニル)エチニル]ベンゼン
  • 1-(2-{4-[2-(4-{2-[4-(2-{2,5-diethyl-4-[2-(4-octylphenyl)ethynyl]phenyl}ethynyl)phenyl]ethynyl}-2,5-dihexylphenyl)ethynyl]phenyl}ethynyl)-2,5-diethyl-4-[2-(4-octylphenyl)ethynyl]benzene
Other name (1)：
  • 1,4-Bis[4-[2,5-diethyl-4-(4-octylphenylethynyl)phenylethynyl]phenylethynyl]-2,5-dihexylbenzene
Thsaurus map：
Thesaurus Map

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