Chem
J-GLOBAL ID：201407030231040206   Nikkaji number：J3.296.135E

3,3′,5,5′-Tetrakis(4-octylphenylethynyl)-2,2′-bithiophene

3,3′,5,5′-テトラキス(4-オクチルフェニルエチニル)-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： C72H86S2
Molecular formula furigana： C72-H86-S2
Molecular weight： 1015.600
InChI： InChI=1S/C72H86S2/c1-5-9-13-17-21-25-29-59-33-41-63(42-34-59)49-53-67-57-69(55-51-65-45-37-61(38-46-65)31-27-23-19-15-11-7-3)73-71(67)72-68(54-50-64-43-35-60(36-44-64)30-26-22-18-14-10-6-2)58-70(74-72)56-52-66-47-39-62(40-48-66)32-28-24-20-16-12-8-4/h33-48,57-58H,5-32H2,1-4H3
InChI key： FZCNZEGAYPVBQE-UHFFFAOYSA-N
SMILES： CCCCCCCCc1ccc(cc1)C#Cc1cc(C#Cc2ccc(CCCCCCCC)cc2)c(s1)c1sc(cc1C#Cc1ccc(CCCCCCCC)cc1)C#Cc1ccc(CCCCCCCC)cc1
Systematic name  (3)：
  • 3,3′,5,5′-テトラキス(4-オクチルフェニルエチニル)-2,2′-ビチオフェン
  • 3,3',5,5'-テトラキス[2-(4-オクチルフェニル)エチニル]-2,2'-ビチオフェン
  • 3,3',5,5'-tetrakis[2-(4-octylphenyl)ethynyl]-2,2'-bithiophene
Other name (1)：
  • 3,3′,5,5′-Tetrakis(4-octylphenylethynyl)-2,2′-bithiophene
Thsaurus map：
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