Chem
J-GLOBAL ID：201207063229962393   Nikkaji number：J3.048.591B

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

1,4-ビス[2,5-ジヘキシル-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： C106H134
Molecular formula furigana： C106-H134
Molecular weight： 1408.238
InChI： InChI=1S/C106H134/c1-9-17-25-33-35-37-45-87-53-57-89(58-54-87)61-63-91-65-69-93(70-66-91)73-75-101-81-97(49-41-29-21-13-5)103(83-95(101)47-39-27-19-11-3)77-79-105-85-100(52-44-32-24-16-8)106(86-99(105)51-43-31-23-15-7)80-78-104-84-96(48-40-28-20-12-4)102(82-98(104)50-42-30-22-14-6)76-74-94-71-67-92(68-72-94)64-62-90-59-55-88(56-60-90)46-38-36-34-26-18-10-2/h53-60,65-72,81-86H,9-52H2,1-8H3
InChI key： WLZZKNCQUFXUTQ-UHFFFAOYSA-N
SMILES： CCCCCCCCc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc(CCCCCC)c(cc1CCCCCC)C#Cc1cc(CCCCCC)c(cc1CCCCCC)C#Cc1cc(CCCCCC)c(cc1CCCCCC)C#Cc1ccc(cc1)C#Cc1ccc(CCCCCCCC)cc1
Systematic name  (3)：
  • 1,4-ビス[2,5-ジヘキシル-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-[2-(4-{2-[2,5-ジヘキシル-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]-2,5-ジヘキシル-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)ベンゼン
  • 1-[2-(4-{2-[2,5-dihexyl-4-(2-{4-[2-(4-octylphenyl)ethynyl]phenyl}ethynyl)phenyl]ethynyl}-2,5-dihexylphenyl)ethynyl]-2,5-dihexyl-4-(2-{4-[2-(4-octylphenyl)ethynyl]phenyl}ethynyl)benzene
Other name (1)：
  • 1,4-Bis[2,5-dihexyl-4-[4-(4-octylphenylethynyl)phenylethynyl]phenylethynyl]-2,5-dihexylbenzene
Thsaurus map：
Thesaurus Map

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