Chem
J-GLOBAL ID：200907000565542460
Nikkaji number：J1.706.508D
3,8-Diamino-5-[6-[1-[2-[(9-acridinyl)amino]ethyl]-1H-1,2,3-triazole-4-yl]hexyl]-6-phenylphenanthridinium
3,8-ジアミノ-5-[6-[1-[2-[(9-アクリジニル)アミノ]エチル]-1H-1,2,3-トリアゾール-4-イル]ヘキシル]-6-フェニルフェナントリジニウム
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
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
Molecular formula： C42H41N7[N+]
Molecular formula furigana： C42-H41-N8
Molecular weight： 657.845
InChI：
InChI=1S/C42H40N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)50(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-49(48-47-32)25-23-45-41-35-15-7-9-17-38(35)46-39-18-10-8-16-36(39)41/h3-5,7-10,12-13,15-22,26-28,44H,1-2,6,11,14,23-25,43H2,(H,45,46)/p+1
InChI key：
IIHWAURNXZAECF-UHFFFAOYSA-O
SMILES：
Nc1ccc2c(c1)c(c1ccccc1)[n+](CCCCCCc1cn(CCNc3c4ccccc4nc4ccccc34)nn1)c1cc(N)ccc21
Systematic name (3)：
- 3,8-ジアミノ-5-[6-[1-[2-[(9-アクリジニル)アミノ]エチル]-1H-1,2,3-トリアゾール-4-イル]ヘキシル]-6-フェニルフェナントリジニウム
- 5-[6-(1-{2-[(アクリジン-9-イル)アミノ]エチル}-1H-1,2,3-トリアゾール-4-イル)ヘキシル]-3,8-ジアミノ-6-フェニルフェナントリジン-5-イウム
- 5-[6-(1-{2-[(acridin-9-yl)amino]ethyl}-1H-1,2,3-triazol-4-yl)hexyl]-3,8-diamino-6-phenylphenanthridin-5-ium
- 3,8-Diamino-5-[6-[1-[2-[(9-acridinyl)amino]ethyl]-1H-1,2,3-triazole-4-yl]hexyl]-6-phenylphenanthridinium
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