Chem
J-GLOBAL ID：200907096088127517   Nikkaji number：J1.243.807I

N,N′-[(1,2,3,6,7,8-Hexahydro-1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline)-2,7-diylbis(1,3-propanediyl)]bis[4-[(1,2,3,4-tetrahydro-5-methyl-2,4-dioxopyrimidine)-1-yl]butyldimethylaminium]

N,N′-[(1,2,3,6,7,8-ヘキサヒドロ-1,3,6,8-テトラオキソベンゾ[lmn][3,8]フェナントロリン)-2,7-ジイルビス(1,3-プロパンジイル)]ビス[4-[(1,2,3,4-テトラヒドロ-5-メチル-2,4-ジオキソピリミジン)-1-イル]ブチルジメチルアミニウム]
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： C42H54N6[N+]2O8
Molecular formula furigana： C42-H54-N8-O8
Molecular weight： 798.941
InChI： InChI=1S/C42H52N8O8/c1-27-25-45(41(57)43-35(27)51)17-7-9-21-49(3,4)23-11-19-47-37(53)29-13-15-31-34-32(16-14-30(33(29)34)38(47)54)40(56)48(39(31)55)20-12-24-50(5,6)22-10-8-18-46-26-28(2)36(52)44-42(46)58/h13-16,25-26H,7-12,17-24H2,1-6H3/p+2
InChI key： KTUPUOKTYLVUAF-UHFFFAOYSA-P
SMILES： Cc1cn(CCCC[N+](C)(C)CCCn2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n(CCC[N+](C)(C)CCCCn2cc(C)c(=O)[nH]c2=O)c4=O)c(=O)[nH]c1=O
Systematic name  (3)：
  • N,N′-[(1,2,3,6,7,8-ヘキサヒドロ-1,3,6,8-テトラオキソベンゾ[lmn][3,8]フェナントロリン)-2,7-ジイルビス(1,3-プロパンジイル)]ビス[4-[(1,2,3,4-テトラヒドロ-5-メチル-2,4-ジオキソピリミジン)-1-イル]ブチルジメチルアミニウム]
  • {3-[13-(3-{ジメチル[4-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)ブチル]アザニウミル}プロピル)-5,7,12,14-テトラオキソ-6,13-ジアザテトラシクロ[6.6.2.04,16.011,15]ヘキサデカ-1,3,8,10,15-ペンタエン-6-イル]プロピル}ジメチル[4-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)ブチル]アザニウム
  • {3-[13-(3-{dimethyl[4-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)butyl]azaniumyl}propyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl]propyl}dimethyl[4-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)butyl]azanium
Other name (1)：
  • N,N′-[(1,2,3,6,7,8-Hexahydro-1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline)-2,7-diylbis(1,3-propanediyl)]bis[4-[(1,2,3,4-tetrahydro-5-methyl-2,4-dioxopyrimidine)-1-yl]butyldimethylaminium]
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