Chem
J-GLOBAL ID:200907060374787350   Nikkaji number:J1.788.099C

5,5′-Bi[2,3-bis[2,3-bis(5-hexyl-2-thienyl)-5-thienyl]thiophene]

5,5′-ビ[2,3-ビス[2,3-ビス(5-ヘキシル-2-チエニル)-5-チエニル]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: C104H126S14
Molecular formula furigana: C104-H126-S14
Molecular weight: 1824.990
InChI: InChI=1S/C104H126S14/c1-9-17-25-33-41-71-49-57-85(105-71)79-65-93(113-99(79)89-61-53-75(109-89)45-37-29-21-13-5)83-67-95(115-103(83)97-69-81(87-59-51-73(107-87)43-35-27-19-11-3)101(117-97)91-63-55-77(111-91)47-39-31-23-15-7)96-68-84(94-66-80(86-58-50-72(106-86)42-34-26-18-10-2)100(114-94)90-62-54-76(110-90)46-38-30-22-14-6)104(116-96)98-70-82(88-60-52-74(108-88)44-36-28-20-12-4)102(118-98)92-64-56-78(112-92)48-40-32-24-16-8/h49-70H,9-48H2,1-8H3
InChI key: OICLUGWRJIFWRL-UHFFFAOYSA-N
SMILES: CCCCCCc1ccc(s1)c1cc(sc1c1ccc(CCCCCC)s1)c1cc(sc1c1cc(c2ccc(CCCCCC)s2)c(s1)c1ccc(CCCCCC)s1)c1cc(c2cc(c3ccc(CCCCCC)s3)c(s2)c2ccc(CCCCCC)s2)c(s1)c1cc(c2ccc(CCCCCC)s2)c(s1)c1ccc(CCCCCC)s1
Systematic name  (4):
  • 5,5′-ビ[2,3-ビス[2,3-ビス(5-ヘキシル-2-チエニル)-5-チエニル]チオフェン]
  • 5,5′′′′′-ジヘキシル-3′,4′′′′-ビス(5-ヘキシル-2-チエニル)-3′′,4′′′-ビス[4,5-ビス(5-ヘキシル-2-チエニル)-2-チエニル]-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-セキシチオフェン
  • 4,4',5,5'-テトラキス[5'-ヘキシル-3-(5-ヘキシルチオフェン-2-イル)-[2,2'-ビチオフェン]-5-イル]-2,2'-ビチオフェン
  • 4,4',5,5'-tetrakis[5'-hexyl-3-(5-hexylthiophen-2-yl)-[2,2'-bithiophen]-5-yl]-2,2'-bithiophene
Other name (2):
  • 5,5′-Bi[2,3-bis[2,3-bis(5-hexyl-2-thienyl)-5-thienyl]thiophene]
  • 5,5′′′′′-Dihexyl-3′,4′′′′-bis(5-hexyl-2-thienyl)-3′′,4′′′-bis[4,5-bis(5-hexyl-2-thienyl)-2-thienyl]-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-sexithiophene
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