Chem
J-GLOBAL ID：200907028585927980   Nikkaji number：J1.243.809E

N,N′-[(4,8-Diazonia-4,4,8,8-tetramethylundecane)-1,11-diylbis[(1,2,3,6,7,8-hexahydro-1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline)-7,2-diyl]bis(1,3-propanediyl)]-N,N,N′,N′-tetramethyl-1,3-propanediaminium

N,N′-[(4,8-ジアゾニア-4,4,8,8-テトラメチルウンデカン)-1,11-ジイルビス[(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)-7,2-ジイル]ビス(1,3-プロパンジイル)]-N,N,N′,N′-テトラメチル-1,3-プロパンジアミニウム
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： C54H68N4[N+]4O8
Molecular formula furigana： C54-H68-N8-O8
Molecular weight： 957.184
InChI： InChI=1S/C54H68N8O8/c1-59(2)27-9-23-55-47(63)35-15-17-37-44-38(18-16-36(43(35)44)48(55)64)52(68)57(51(37)67)25-11-29-61(5,6)33-14-34-62(7,8)30-12-26-58-53(69)41-21-19-39-45-40(20-22-42(46(41)45)54(58)70)50(66)56(49(39)65)24-10-28-60(3,4)32-13-31-59/h15-22H,9-14,23-34H2,1-8H3/q+4
InChI key： MXWGZMWAKWQWMZ-UHFFFAOYSA-N
SMILES： C[N+]1(C)CCCn2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n(CCC[N+](C)(C)CCC[N+](C)(C)CCCn2c(=O)c3ccc5c6c(ccc(c36)c2=O)c(=O)n(CCC[N+](C)(C)CCC1)c5=O)c4=O
Systematic name  (3)：
  • N,N′-[(4,8-ジアゾニア-4,4,8,8-テトラメチルウンデカン)-1,11-ジイルビス[(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)-7,2-ジイル]ビス(1,3-プロパンジイル)]-N,N,N′,N′-テトラメチル-1,3-プロパンジアミニウム
  • 10,10,14,14,35,35,39,39-オクタメチル-5,19,30,44,51,52,53,54-オクタオキソ-6,10,14,18,31,35,39,43-オクタアザノナシクロ[41.7.1.16,48.118,26.123,31.04,49.020,25.024,29.045,50]テトラペンタコンタ-1,3,20,22,24,26,28,45,47,49-デカエン-10,14,35,39-テトライウム
  • 10,10,14,14,35,35,39,39-octamethyl-5,19,30,44,51,52,53,54-octaoxo-6,10,14,18,31,35,39,43-octaazanonacyclo[41.7.1.16,48.118,26.123,31.04,49.020,25.024,29.045,50]tetrapentaconta-1,3,20,22,24,26,28,45,47,49-decaene-10,14,35,39-tetraium
Other name (1)：
  • N,N′-[(4,8-Diazonia-4,4,8,8-tetramethylundecane)-1,11-diylbis[(1,2,3,6,7,8-hexahydro-1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline)-7,2-diyl]bis(1,3-propanediyl)]-N,N,N′,N′-tetramethyl-1,3-propanediaminium
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