Chem
J-GLOBAL ID:200907079455101722   Nikkaji number:J1.562.741G

5′′-[4-[Bis[4-(5-hexyl-2-thienyl)phenyl]amino]phenyl]-2,2′:5′,2′′-terthiophene-5-carboxylic acid

5′′-[4-[ビス[4-(5-ヘキシル-2-チエニル)フェニル]アミノ]フェニル]-2,2′:5′,2′′-テルチオフェン-5-カルボン酸
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: C51H49NO2S5
Molecular formula furigana: C51-H49-N-O2-S5
Molecular weight: 868.260
InChI: InChI=1S/C51H49NO2S5/c1-3-5-7-9-11-41-25-27-43(55-41)35-13-19-38(20-14-35)52(39-21-15-36(16-22-39)44-28-26-42(56-44)12-10-8-6-4-2)40-23-17-37(18-24-40)45-29-30-46(57-45)47-31-32-48(58-47)49-33-34-50(59-49)51(53)54/h13-34H,3-12H2,1-2H3,(H,53,54)
InChI key: PWZCHJPPDGSHOF-UHFFFAOYSA-N
SMILES: CCCCCCc1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)c1ccc(CCCCCC)s1)c1ccc(cc1)c1ccc(s1)c1ccc(s1)c1ccc(s1)C(=O)O
Systematic name  (3):
  • 5′′-[4-[ビス[4-(5-ヘキシル-2-チエニル)フェニル]アミノ]フェニル]-2,2′:5′,2′′-テルチオフェン-5-カルボン酸
  • 5'-[5-(4-{ビス[4-(5-ヘキシルチオフェン-2-イル)フェニル]アミノ}フェニル)チオフェン-2-イル]-[2,2'-ビチオフェン]-5-カルボン酸
  • 5'-[5-(4-{bis[4-(5-hexylthiophen-2-yl)phenyl]amino}phenyl)thiophen-2-yl]-[2,2'-bithiophene]-5-carboxylic acid
Other name (1):
  • 5′′-[4-[Bis[4-(5-hexyl-2-thienyl)phenyl]amino]phenyl]-2,2′:5′,2′′-terthiophene-5-carboxylic acid
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