Chem
J-GLOBAL ID：201107027665455037   Nikkaji number：J2.956.177J

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

1,4-ビス[2,5-ジヘキシル-4-[4-(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/c1-7-13-19-31-41-79-69-87(81(43-33-21-15-9-3)67-85(79)61-59-77-55-51-75(52-56-77)49-47-73-37-27-25-28-38-73)63-65-89-71-84(46-36-24-18-12-6)90(72-83(89)45-35-23-17-11-5)66-64-88-70-80(42-32-20-14-8-2)86(68-82(88)44-34-22-16-10-4)62-60-78-57-53-76(54-58-78)50-48-74-39-29-26-30-40-74/h25-30,37-40,51-58,67-72H,7-24,31-36,41-46H2,1-6H3
InChI key： NGLLCOISNFEGBP-UHFFFAOYSA-N
SMILES： CCCCCCc1cc(C#Cc2cc(CCCCCC)c(cc2CCCCCC)C#Cc2cc(CCCCCC)c(cc2CCCCCC)C#Cc2ccc(cc2)C#Cc2ccccc2)c(CCCCCC)cc1C#Cc1ccc(cc1)C#Cc1ccccc1
Systematic name  (3)：
  • 1,4-ビス[2,5-ジヘキシル-4-[4-(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-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-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-phenylethynyl)phenyl]ethynyl}phenyl)ethynyl]-2,5-dihexylphenyl}ethynyl)-2,5-dihexyl-4-{2-[4-(2-phenylethynyl)phenyl]ethynyl}benzene
Other name (1)：
  • 1,4-Bis[2,5-dihexyl-4-[4-(phenylethynyl)phenylethynyl]phenylethynyl]-2,5-dihexylbenzene
Thsaurus map：
Thesaurus Map

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