Chem
J-GLOBAL ID：201407093639143463   Nikkaji number：J3.296.137A

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

3,3′,5,5′-テトラキス(4-ペンチルオキシフェニルエチニル)-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： C60H62O4S2
Molecular formula furigana： C60-H62-O4-S2
Molecular weight： 911.270
InChI： InChI=1S/C60H62O4S2/c1-5-9-13-41-61-53-31-19-47(20-32-53)17-29-51-45-57(39-27-49-23-35-55(36-24-49)63-43-15-11-7-3)65-59(51)60-52(30-18-48-21-33-54(34-22-48)62-42-14-10-6-2)46-58(66-60)40-28-50-25-37-56(38-26-50)64-44-16-12-8-4/h19-26,31-38,45-46H,5-16,41-44H2,1-4H3
InChI key： HBNXTUVLXNMZIS-UHFFFAOYSA-N
SMILES： CCCCCOc1ccc(cc1)C#Cc1cc(C#Cc2ccc(OCCCCC)cc2)c(s1)c1sc(cc1C#Cc1ccc(OCCCCC)cc1)C#Cc1ccc(OCCCCC)cc1
Systematic name  (5)：
  • 3,3′,5,5′-テトラキス(4-ペンチルオキシフェニルエチニル)-2,2′-ビチオフェン
  • 3,3′,5,5′-テトラキス[4-(ペンチルオキシ)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[[4-(ペンチルオキシ)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-(ペンチルオキシ)フェニル]エチニル})-2,2'-ビチオフェン
  • 3,3',5,5'-tetrakis({2-[4-(pentyloxy)phenyl]ethynyl})-2,2'-bithiophene
Other name (3)：
  • 3,3′,5,5′-Tetrakis(4-pentyloxyphenylethynyl)-2,2′-bithiophene
  • 3,3′,5,5′-Tetrakis[4-(pentyloxy)phenylethynyl]-2,2′-bithiophene
  • 3,3′,5,5′-Tetrakis[[4-(pentyloxy)phenyl]ethynyl]-2,2′-bithiophene
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