Chem
J-GLOBAL ID：200907017646208122   Nikkaji number：J1.773.915H

4-[(Propanedinitrile-2-ide)-2-yl]phenylbis(1,2-dihydro-1-phenyl-2-oxocyclohepta[b]pyrrole-3-yl)methylcation

{4-[ビス({2-オキソ-1-フェニル-1H,2H-シクロヘプタ[b]ピロール-3-イル})メチリウミル]フェニル}ジシアノメタニド
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： C38[C-][C+]H24N4O2
Molecular formula furigana： C40-H24-N4-O2
Molecular weight： 592.658
InChI： InChI=1S/C40H24N4O2/c41-25-29(26-42)27-21-23-28(24-22-27)36(37-32-17-9-3-11-19-34(32)43(39(37)45)30-13-5-1-6-14-30)38-33-18-10-4-12-20-35(33)44(40(38)46)31-15-7-2-8-16-31/h1-24H
InChI key： YKWYEMCTMKAOPZ-UHFFFAOYSA-N
SMILES： O=c1c([C+](c2c3cccccc3n(c3ccccc3)c2=O)c2ccc(cc2)[C-](C#N)C#N)c2cccccc2n1c1ccccc1
Systematic name  (3)：
  • 4-[(プロパンジニトリル-2-イド)-2-イル]フェニルビス(1,2-ジヒドロ-1-フェニル-2-オキソシクロヘプタ[b]ピロール-3-イル)メチルカチオン
  • {4-[ビス({2-オキソ-1-フェニル-1H,2H-シクロヘプタ[b]ピロール-3-イル})メチリウミル]フェニル}ジシアノメタニド
  • {4-[bis({2-oxo-1-phenyl-1H,2H-cyclohepta[b]pyrrol-3-yl})methyliumyl]phenyl}dicyanomethanide
Other name (1)：
  • 4-[(Propanedinitrile-2-ide)-2-yl]phenylbis(1,2-dihydro-1-phenyl-2-oxocyclohepta[b]pyrrole-3-yl)methylcation
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