Chem
J-GLOBAL ID：201207095421504225   Nikkaji number：J3.048.593I

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

1,4-ビス[2,5-ジエチル-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： C98H118
Molecular formula furigana： C98-H118
Molecular weight： 1296.022
InChI： InChI=1S/C98H118/c1-13-25-29-33-35-37-41-75-45-49-77(50-46-75)53-55-89-65-81(19-7)91(67-79(89)17-5)57-59-93-69-85(23-11)95(71-83(93)21-9)61-63-97-73-88(44-40-32-28-16-4)98(74-87(97)43-39-31-27-15-3)64-62-96-72-84(22-10)94(70-86(96)24-12)60-58-92-68-80(18-6)90(66-82(92)20-8)56-54-78-51-47-76(48-52-78)42-38-36-34-30-26-14-2/h45-52,65-74H,13-44H2,1-12H3
InChI key： FNPSRGQTISXOSD-UHFFFAOYSA-N
SMILES： CCCCCCCCc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(CCCCCC)c(cc1CCCCCC)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(CCCCCCCC)cc1
Systematic name  (3)：
  • 1,4-ビス[2,5-ジエチル-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)-2,5-ジエチルフェニル]エチニル}-2,5-ジヘキシルフェニル)エチニル]-2,5-ジエチルフェニル}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)-2,5-diethylphenyl]ethynyl}-2,5-dihexylphenyl)ethynyl]-2,5-diethylphenyl}ethynyl)-2,5-diethyl-4-[2-(4-octylphenyl)ethynyl]benzene
Other name (1)：
  • 1,4-Bis[2,5-diethyl-4-[2,5-diethyl-4-(4-octylphenylethynyl)phenylethynyl]phenylethynyl]-2,5-dihexylbenzene
Thsaurus map：
Thesaurus Map

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