Chem
J-GLOBAL ID：200907095287408120   Nikkaji number：J2.124.095H

5,5′′′-Bis[4-(heptadecafluorooctyl)phenyl]-2,2′:5′,2′′:5′′,2′′′-quaterthiophene

5,5′′′-ビス[4-(ヘプタデカフルオロオクチル)フェニル]-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： C44H16F34S4
Molecular formula furigana： C44-H16-F34-S4
Molecular weight： 1318.800
InChI： InChI=1S/C44H16F34S4/c45-29(46,31(49,50)33(53,54)35(57,58)37(61,62)39(65,66)41(69,70)43(73,74)75)19-5-1-17(2-6-19)21-9-11-23(79-21)25-13-15-27(81-25)28-16-14-26(82-28)24-12-10-22(80-24)18-3-7-20(8-4-18)30(47,48)32(51,52)34(55,56)36(59,60)38(63,64)40(67,68)42(71,72)44(76,77)78/h1-16H
InChI key： WCTHBTQQFOFYMG-UHFFFAOYSA-N
SMILES： FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(cc1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Systematic name  (3)：
  • 5,5′′′-ビス[4-(ヘプタデカフルオロオクチル)フェニル]-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
  • 5-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-ヘプタデカフルオロオクチル)フェニル]-5'-{5'-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-ヘプタデカフルオロオクチル)フェニル]-[2,2'-ビチオフェン]-5-イル}-2,2'-ビチオフェン
  • 5-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-5'-{5'-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[2,2'-bithiophen]-5-yl}-2,2'-bithiophene
Other name (1)：
  • 5,5′′′-Bis[4-(heptadecafluorooctyl)phenyl]-2,2′:5′,2′′:5′′,2′′′-quaterthiophene
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