Chem
J-GLOBAL ID:200907014940319863   Nikkaji number:J1.085.799F

3,3′′′-Dihexyl-5-(3,3′′′-dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl)-2,2′:5′,2′′:5′′,2′′′-quaterthiophene

3,3′′′-ジヘキシル-5-(3,3′′′-ジヘキシル-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン-5-イル)-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
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: C56H66S8
Molecular formula furigana: C56-H66-S8
Molecular weight: 995.620
InChI: InChI=1S/C56H66S8/c1-5-9-13-17-21-39-33-35-57-53(39)47-29-25-43(59-47)45-27-31-49(61-45)55-41(23-19-15-11-7-3)37-51(63-55)52-38-42(24-20-16-12-8-4)56(64-52)50-32-28-46(62-50)44-26-30-48(60-44)54-40(34-36-58-54)22-18-14-10-6-2/h25-38H,5-24H2,1-4H3
InChI key: BACFFFYHBDXULF-UHFFFAOYSA-N
SMILES: CCCCCCc1ccsc1c1ccc(s1)c1ccc(s1)c1sc(cc1CCCCCC)c1cc(CCCCCC)c(s1)c1ccc(s1)c1ccc(s1)c1sccc1CCCCCC
Systematic name  (5):
  • 3,3′′′-ジヘキシル-5-(3,3′′′-ジヘキシル-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン-5-イル)-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
  • 3,3′′′,4′′′′,3′′′′′′′-テトラヘキシル-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′:5′′′′′,2′′′′′′:5′′′′′′,2′′′′′′′-オクチチオフェン
  • 5′′′-[3,3′′′-ジヘキシル-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン-5-イル]-3,3′′′-ジヘキシル-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
  • 3-ヘキシル-5-(3-ヘキシル-5'-{3'-ヘキシル-[2,2'-ビチオフェン]-5-イル}-[2,2'-ビチオフェン]-5-イル)-5'-{3'-ヘキシル-[2,2'-ビチオフェン]-5-イル}-2,2'-ビチオフェン
  • 3-hexyl-5-(3-hexyl-5'-{3'-hexyl-[2,2'-bithiophen]-5-yl}-[2,2'-bithiophen]-5-yl)-5'-{3'-hexyl-[2,2'-bithiophen]-5-yl}-2,2'-bithiophene
Other name (3):
  • 3,3′′′-Dihexyl-5-(3,3′′′-dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl)-2,2′:5′,2′′:5′′,2′′′-quaterthiophene
  • 3,3′′′,4′′′′,3′′′′′′′-Tetrahexyl-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′:5′′′′′,2′′′′′′:5′′′′′′,2′′′′′′′-octithiophene
  • 5′′′-[3,3′′′-Dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl]-3,3′′′-dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene
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