Chem
J-GLOBAL ID：201307069118961644   Nikkaji number：J3.204.076D

4,8,12-Trioctyl-4,8,12-triaza-12,12c-dihydro-4H,8H-dibenzo[cd,mn]pyrene-12c-cation

4,8,12-トリオクチル-4,8,12-トリアザ-12,12c-ジヒドロ-4H,8H-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： C42[C+]H60N3
Molecular formula furigana： C43-H60-N3
Molecular weight： 618.973
InChI： InChI=1S/C43H60N3/c1-4-7-10-13-16-19-31-44-34-25-22-27-36-40(34)43-41-35(44)26-23-28-37(41)46(33-21-18-15-12-9-6-3)39-30-24-29-38(42(39)43)45(36)32-20-17-14-11-8-5-2/h22-30H,4-21,31-33H2,1-3H3/q+1
InChI key： VBKHWOSRBCUOPT-UHFFFAOYSA-N
SMILES： CCCCCCCCn1c2cccc3n(CCCCCCCC)c4cccc5n(CCCCCCCC)c6cccc1c6[C+](c23)c45
Systematic name  (2)：
  • 4,8,12-トリオクチル-4,8,12-トリアザ-12,12c-ジヒドロ-4H,8H-ジベンゾ[cd,mn]ピレン-12c-カチオン
  • 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 (2)：
  • 4,8,12-Trioctyl-4,8,12-triaza-12,12c-dihydro-4H,8H-dibenzo[cd,mn]pyrene-12c-cation
  • 4,8,12-Trioctyl-4,8,12-triaza-8,12c-dihydro-4H,12H-dibenzo[cd,mn]pyrene-12c-cation
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