Chem
J-GLOBAL ID：201607002370527537   Nikkaji number：J3.526.110I

2,6,10-Tri(4-nitrophenyl)-4,8,12-trioctyl-4,8,12-triaza-8,12c-dihydro-4H,12H-dibenzo[cd,mn]pyrene-12c-cation

2,6,10-トリ(4-ニトロフェニル)-4,8,12-トリオクチル-4,8,12-トリアザ-8,12c-ジヒドロ-4H,12H-ジベンゾ[cd,mn]ピレン-12c-カチオン
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： C60[C+]H69N3[N+]3O3[O-]3
Molecular formula furigana： C61-H69-N6-O6
Molecular weight： 982.258
InChI： InChI=1S/C61H69N6O6/c1-4-7-10-13-16-19-34-62-52-37-46(43-22-28-49(29-23-43)65(68)69)39-54-58(52)61-59-53(62)38-47(44-24-30-50(31-25-44)66(70)71)40-55(59)64(36-21-18-15-12-9-6-3)57-42-48(45-26-32-51(33-27-45)67(72)73)41-56(60(57)61)63(54)35-20-17-14-11-8-5-2/h22-33,37-42H,4-21,34-36H2,1-3H3/q+1
InChI key： FSZDBSUALBLPFW-UHFFFAOYSA-N
SMILES： CCCCCCCCn1c2cc(cc3n(CCCCCCCC)c4cc(cc5n(CCCCCCCC)c6cc(cc1c6[C+](c23)c45)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Systematic name  (1)：
  • 2,6,10-トリ(4-ニトロフェニル)-4,8,12-トリオクチル-4,8,12-トリアザ-8,12c-ジヒドロ-4H,12H-ジベンゾ[cd,mn]ピレン-12c-カチオン
Other name (1)：
  • 2,6,10-Tri(4-nitrophenyl)-4,8,12-trioctyl-4,8,12-triaza-8,12c-dihydro-4H,12H-dibenzo[cd,mn]pyrene-12c-cation
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