Chem
J-GLOBAL ID：200907025161566023   Nikkaji number：J2.268.630E

7,9,18,20-Tetramethyl-8,10,19,21-tetraoxo-5,16-diphenyl-5,7,9,16,18,20-hexaazapentacyclo[15.4.0.02,15.04,12.06,11]henicosane-1,3,6(11),12,14,16-hexaene-16-ium

7,9,18,20-テトラメチル-8,10,19,21-テトラオキソ-5,16-ジフェニル-5,7,9,16,18,20-ヘキサアザペンタシクロ[15.4.0.02,15.04,12.06,11]ヘニコサン-1,3,6(11),12,14,16-ヘキサエン-16-イウム
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： C31H25N5[N+]O4
Molecular formula furigana： C31-H25-N6-O4
Molecular weight： 545.578
InChI： InChI=1S/C31H25N6O4/c1-32-26-24(28(38)34(3)30(32)40)20-15-16-22-21(17-23(20)37(26)19-13-9-6-10-14-19)25-27(33(2)31(41)35(4)29(25)39)36(22)18-11-7-5-8-12-18/h5-17H,1-4H3/q+1
InChI key： LIJRRZCWWGLPOU-UHFFFAOYSA-N
SMILES： Cn1c2n(c3ccccc3)c3cc4c(ccc3c2c(=O)n(C)c1=O)[n+](c1ccccc1)c1n(C)c(=O)n(C)c(=O)c41
Systematic name  (3)：
  • 7,9,18,20-テトラメチル-8,10,19,21-テトラオキソ-5,16-ジフェニル-5,7,9,16,18,20-ヘキサアザペンタシクロ[15.4.0.02,15.04,12.06,11]ヘニコサン-1,3,6(11),12,14,16-ヘキサエン-16-イウム
  • 6,8,17,19-テトラメチル-5,7,16,18-テトラオキソ-10,21-ジフェニル-6,8,10λ5,17,19,21-ヘキサアザペンタシクロ[12.7.0.03,11.04,9.015,20]ヘンイコサ-1,3,9,11,13,15(20)-ヘキサエン-10-イリウム
  • 6,8,17,19-tetramethyl-5,7,16,18-tetraoxo-10,21-diphenyl-6,8,10λ5,17,19,21-hexaazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1,3,9,11,13,15(20)-hexaen-10-ylium
Other name (1)：
  • 7,9,18,20-Tetramethyl-8,10,19,21-tetraoxo-5,16-diphenyl-5,7,9,16,18,20-hexaazapentacyclo[15.4.0.02,15.04,12.06,11]henicosane-1,3,6(11),12,14,16-hexaene-16-ium
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