Chem
J-GLOBAL ID：200907019658329947   Nikkaji number：J734.335C

3,3′,4,4′,5,5′-Hexakis(phenylethynyl)-2,2′-bithiophene

ヘキサキス(2-フェニルエチニル)-2,2'-ビチオフェン
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： C56H30S2
Molecular formula furigana： C56-H30-S2
Molecular weight： 766.980
InChI： InChI=1S/C56H30S2/c1-7-19-43(20-8-1)31-37-49-51(39-33-45-23-11-3-12-24-45)55(57-53(49)41-35-47-27-15-5-16-28-47)56-52(40-34-46-25-13-4-14-26-46)50(38-32-44-21-9-2-10-22-44)54(58-56)42-36-48-29-17-6-18-30-48/h1-30H
InChI key： QCMJAUKICYQAQN-UHFFFAOYSA-N
SMILES： c1ccc(cc1)C#Cc1sc(c2sc(C#Cc3ccccc3)c(C#Cc3ccccc3)c2C#Cc2ccccc2)c(C#Cc2ccccc2)c1C#Cc1ccccc1
Systematic name  (3)：
  • 3,3′,4,4′,5,5′-ヘキサキス(フェニルエチニル)-2,2′-ビチオフェン
  • ヘキサキス(2-フェニルエチニル)-2,2'-ビチオフェン
  • hexakis(2-phenylethynyl)-2,2'-bithiophene
Other name (1)：
  • 3,3′,4,4′,5,5′-Hexakis(phenylethynyl)-2,2′-bithiophene
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