Chem
J-GLOBAL ID：200907016723705960
Nikkaji number：J2.419.809J
(E)-2-Cyano-3-[5-[(E)-2-[5-[9-(9,9-dimethyl-9H-fluorene-2-yl)-9H-carbazole-3-yl]-2-thienyl]ethenyl]-2-thienyl]propenoic acid
(E)-2-シアノ-3-[5-[(E)-2-[5-[9-(9,9-ジメチル-9H-フルオレン-2-イル)-9H-カルバゾール-3-イル]-2-チエニル]エテニル]-2-チエニル]プロペン酸
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
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
Molecular formula： C41H28N2O2S2
Molecular formula furigana： C41-H28-N2-O2-S2
Molecular weight： 644.810
InChI：
InChI=1S/C41H28N2O2S2/c1-41(2)35-9-5-3-7-31(35)32-18-12-27(23-36(32)41)43-37-10-6-4-8-33(37)34-22-25(11-19-38(34)43)39-20-17-29(47-39)14-13-28-15-16-30(46-28)21-26(24-42)40(44)45/h3-23H,1-2H3,(H,44,45)/b14-13+,26-21+
InChI key：
OWQWNACYDVYWAB-OCGRJXJSSA-N
SMILES：
CC1(C)c2ccccc2c2ccc(cc12)n1c2ccccc2c2cc(ccc12)c1ccc(/C=C/c2ccc(/C=C(\C#N)/C(=O)O)s2)s1
Systematic name (3)：
- (E)-2-シアノ-3-[5-[(E)-2-[5-[9-(9,9-ジメチル-9H-フルオレン-2-イル)-9H-カルバゾール-3-イル]-2-チエニル]エテニル]-2-チエニル]プロペン酸
- (2E)-2-シアノ-3-{5-[(1E)-2-{5-[9-(9,9-ジメチル-9H-フルオレン-2-イル)-9H-カルバゾール-3-イル]チオフェン-2-イル}エテニル]チオフェン-2-イル}プロパ-2-エン酸
- (2E)-2-cyano-3-{5-[(1E)-2-{5-[9-(9,9-dimethyl-9H-fluoren-2-yl)-9H-carbazol-3-yl]thiophen-2-yl}ethenyl]thiophen-2-yl}prop-2-enoic acid
- (E)-2-Cyano-3-[5-[(E)-2-[5-[9-(9,9-dimethyl-9H-fluorene-2-yl)-9H-carbazole-3-yl]-2-thienyl]ethenyl]-2-thienyl]propenoic acid
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