Chem
J-GLOBAL ID:201607000120343187
Nikkaji number:J3.526.106K
2,6,10-Triphenyl-4,8,12-trioctyl-4,8,12-triaza-8,12c-dihydro-4H,12H-dibenzo[cd,mn]pyrene-12c-cation
2,6,10-トリフェニル-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
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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+]H72 N3
Molecular formula furigana:
C61-H72-N3
Molecular weight:
847.267
InChI:
InChI=1S/C61H72N3/c1-4-7-10-13-16-28-37-62-52-40-49(46-31-22-19-23-32-46)42-54-58(52)61-59-53(62)41-50(47-33-24-20-25-34-47)43-55(59)64(39-30-18-15-12-9-6-3)57-45-51(48-35-26-21-27-36-48)44-56(60(57)61)63(54)38-29-17-14-11-8-5-2/h19-27,31-36,40-45H,4-18,28-30,37-39H2,1-3H3/q+1
InChI key:
XPJZSTKDOSQUBZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1c2cc(cc3n(CCCCCCCC)c4cc(cc5n(CCCCCCCC)c6cc(cc1c6[C+](c23)c45)c1ccccc1)c1ccccc1)c1ccccc1
Systematic name (1):
2,6,10-トリフェニル-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-Triphenyl-4,8,12-trioctyl-4,8,12-triaza-8,12c-dihydro-4H,12H-dibenzo[cd,mn]pyrene-12c-cation
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