Chem
J-GLOBAL ID：201207074011992667   Nikkaji number：J3.048.596C

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

1,4-ビス[2,5-ジヘキシル-4-[4-(4-ブ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/c1-9-17-25-31-39-87-75-95(89(41-33-27-19-11-3)73-93(87)67-65-85-61-57-83(58-62-85)55-53-81-49-45-79(46-50-81)37-23-15-7)69-71-97-77-92(44-36-30-22-14-6)98(78-91(97)43-35-29-21-13-5)72-70-96-76-88(40-32-26-18-10-2)94(74-90(96)42-34-28-20-12-4)68-66-86-63-59-84(60-64-86)56-54-82-51-47-80(48-52-82)38-24-16-8/h45-52,57-64,73-78H,9-44H2,1-8H3
InChI key： OQILDBLRKGXTIV-UHFFFAOYSA-N
SMILES： CCCCCCc1cc(C#Cc2cc(CCCCCC)c(cc2CCCCCC)C#Cc2cc(CCCCCC)c(cc2CCCCCC)C#Cc2ccc(cc2)C#Cc2ccc(CCCC)cc2)c(CCCCCC)cc1C#Cc1ccc(cc1)C#Cc1ccc(CCCC)cc1
Systematic name  (3)：
  • 1,4-ビス[2,5-ジヘキシル-4-[4-(4-ブ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-ブチルフェニル)エチニル]フェニル}エチニル)-4-[2-(4-{2-[4-(2-{4-[2-(4-ブチルフェニル)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}-2,5-ジヘキシルフェニル)エチニル]-2,5-ジヘキシルベンゼン
  • 1-(2-{4-[2-(4-butylphenyl)ethynyl]phenyl}ethynyl)-4-[2-(4-{2-[4-(2-{4-[2-(4-butylphenyl)ethynyl]phenyl}ethynyl)-2,5-dihexylphenyl]ethynyl}-2,5-dihexylphenyl)ethynyl]-2,5-dihexylbenzene
Other name (1)：
  • 1,4-Bis[2,5-dihexyl-4-[4-(4-butylphenylethynyl)phenylethynyl]phenylethynyl]-2,5-dihexylbenzene
Thsaurus map：
Thesaurus Map

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