Chem
J-GLOBAL ID：201707003115272677   Nikkaji number：J3.576.777K

3,3,4,4,5,5-Hexafluoro-1-[2-(4-nitrophenylethynyl)benzo[b]thiophene-3-yl]-2-[2-methyl-5-[4-(dimethylamino)phenyl]-3-thienyl]cyclopentene

3,3,4,4,5,5-ヘキサフルオロ-1-[2-(4-ニトロフェニルエチニル)ベンゾ[b]チオフェン-3-イル]-2-[2-メチル-5-[4-(ジメチルアミノ)フェニル]-3-チエニル]シクロペンテン
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： C34H22F6N[N+]O[O-]S2
Molecular formula furigana： C34-H22-F6-N2-O2-S2
Molecular weight： 668.670
InChI： InChI=1S/C34H22F6N2O2S2/c1-19-25(18-28(45-19)21-11-15-22(16-12-21)41(2)3)30-31(33(37,38)34(39,40)32(30,35)36)29-24-6-4-5-7-26(24)46-27(29)17-10-20-8-13-23(14-9-20)42(43)44/h4-9,11-16,18H,1-3H3
InChI key： ITBZCMMUCAKHNN-UHFFFAOYSA-N
SMILES： CN(C)c1ccc(cc1)c1cc(C2=C(c3c(sc4ccccc34)C#Cc3ccc(cc3)[N+](=O)[O-])C(F)(F)C(F)(F)C2(F)F)c(C)s1
Systematic name  (5)：
  • 3,3,4,4,5,5-ヘキサフルオロ-1-[2-(4-ニトロフェニルエチニル)ベンゾ[b]チオフェン-3-イル]-2-[2-メチル-5-[4-(ジメチルアミノ)フェニル]-3-チエニル]シクロペンテン
  • N,N-ジメチル-4-[4-[2-[2-(4-ニトロフェニルエチニル)ベンゾ[b]チオフェン-3-イル]-3,3,4,4,5,5-ヘキサフルオロ-1-シクロペンテニル]-5-メチル-2-チエニル]アニリン
  • N,N-ジメチル-4-[4-[2-[2-[(4-ニトロフェニル)エチニル]ベンゾ[b]チオフェン-3-イル]-3,3,4,4,5,5-ヘキサフルオロ-1-シクロペンテニル]-5-メチル-2-チエニル]アニリン
  • 4-[4-(3,3,4,4,5,5-ヘキサフルオロ-2-{2-[2-(4-ニトロフェニル)エチニル]-1-ベンゾチオフェン-3-イル}シクロペンタ-1-エン-1-イル)-5-メチルチオフェン-2-イル]-N,N-ジメチルアニリン
  • 4-[4-(3,3,4,4,5,5-hexafluoro-2-{2-[2-(4-nitrophenyl)ethynyl]-1-benzothiophen-3-yl}cyclopent-1-en-1-yl)-5-methylthiophen-2-yl]-N,N-dimethylaniline
Other name (3)：
  • 3,3,4,4,5,5-Hexafluoro-1-[2-(4-nitrophenylethynyl)benzo[b]thiophene-3-yl]-2-[2-methyl-5-[4-(dimethylamino)phenyl]-3-thienyl]cyclopentene
  • N,N-Dimethyl-4-[4-[2-[2-(4-nitrophenylethynyl)benzo[b]thiophene-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-methyl-2-thienyl]aniline
  • N,N-Dimethyl-4-[4-[2-[2-[(4-nitrophenyl)ethynyl]benzo[b]thiophene-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-methyl-2-thienyl]aniline
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