Chem
J-GLOBAL ID：201607019113560167   Nikkaji number：J3.526.107I

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

2,6,10-トリ(2-チエニル)-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： C54[C+]H66N3S3
Molecular formula furigana： C55-H66-N3-S3
Molecular weight： 865.330
InChI： InChI=1S/C55H66N3S3/c1-4-7-10-13-16-19-28-56-43-34-40(49-25-22-31-59-49)36-45-52(43)55-53-44(56)35-41(50-26-23-32-60-50)37-46(53)58(30-21-18-15-12-9-6-3)48-39-42(51-27-24-33-61-51)38-47(54(48)55)57(45)29-20-17-14-11-8-5-2/h22-27,31-39H,4-21,28-30H2,1-3H3/q+1
InChI key： OJSSVDKCFRIREG-UHFFFAOYSA-N
SMILES： CCCCCCCCn1c2cc(cc3n(CCCCCCCC)c4cc(cc5n(CCCCCCCC)c6cc(cc1c6[C+](c23)c45)c1cccs1)c1cccs1)c1cccs1
Systematic name  (1)：
  • 2,6,10-トリ(2-チエニル)-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(2-thienyl)-4,8,12-trioctyl-4,8,12-triaza-8,12c-dihydro-4H,12H-dibenzo[cd,mn]pyrene-12c-cation
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