Chem
J-GLOBAL ID：201207053125742639   Nikkaji number：J3.048.590D

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

1,4-ビス[2,5-ジブチル-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： C98H118
Molecular formula furigana： C98-H118
Molecular weight： 1296.022
InChI： InChI=1S/C98H118/c1-9-17-25-29-31-33-37-79-45-49-81(50-46-79)53-55-83-57-61-85(62-58-83)65-67-93-73-89(41-23-15-7)95(75-87(93)39-21-13-5)69-71-97-77-92(44-36-28-20-12-4)98(78-91(97)43-35-27-19-11-3)72-70-96-76-88(40-22-14-6)94(74-90(96)42-24-16-8)68-66-86-63-59-84(60-64-86)56-54-82-51-47-80(48-52-82)38-34-32-30-26-18-10-2/h45-52,57-64,73-78H,9-44H2,1-8H3
InChI key： SYSVTSPIMNQULB-UHFFFAOYSA-N
SMILES： CCCCCCCCc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc(CCCC)c(cc1CCCC)C#Cc1cc(CCCCCC)c(cc1CCCCCC)C#Cc1cc(CCCC)c(cc1CCCC)C#Cc1ccc(cc1)C#Cc1ccc(CCCCCCCC)cc1
Systematic name  (3)：
  • 1,4-ビス[2,5-ジブチル-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-ジブチル-2-[2-(4-{2-[2,5-ジブチル-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}-2,5-ジヘキシルフェニル)エチニル]-5-(2-{4-[2-(4-オクチルフェニル)エチニル]フェニル}エチニル)ベンゼン
  • 1,4-dibutyl-2-[2-(4-{2-[2,5-dibutyl-4-(2-{4-[2-(4-octylphenyl)ethynyl]phenyl}ethynyl)phenyl]ethynyl}-2,5-dihexylphenyl)ethynyl]-5-(2-{4-[2-(4-octylphenyl)ethynyl]phenyl}ethynyl)benzene
Other name (1)：
  • 1,4-Bis[2,5-dibutyl-4-[4-(4-octylphenylethynyl)phenylethynyl]phenylethynyl]-2,5-dihexylbenzene
Thsaurus map：
Thesaurus Map

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