[4-[3,7-Diphenyl-5-[4-(phosphonatomethyl)phenyl]-1,5,3,7-diazadiphosphocane-3,7-diium-1-yl]phenyl]methyl-dioxido-oxo-lambda5-phosphane;hydron;nickel(2+);trihydrobromide

[4-[3,7-Diphenyl-5-[4-(phosphonatomethyl)phenyl]-1,5,3,7-diazadiphosphocane-3,7-diium-1-yl]phenyl]methyl-dioxido-oxo-lambda5-phosphane;hydron;nickel(2+);trihydrobromide · CAS 1514896-39-9

中文名: 暂无
中文别名: 暂无
英文名: [4-[3,7-Diphenyl-5-[4-(phosphonatomethyl)phenyl]-1,5,3,7-diazadiphosphocane-3,7-diium-1-yl]phenyl]methyl-dioxido-oxo-lambda5-phosphane;hydron;nickel(2+);trihydrobromide
CAS: 1514896-39-9
CID: 121237769
IUPAC 名称: bis([4-[3,7-diphenyl-5-[4-(phosphonatomethyl)phenyl]-1,5,3,7-diazadiphosphocane-3,7-diium-1-yl]phenyl]methyl-dioxido-oxo-lambda5-phosphane);hydron;nickel(2+);trihydrobromide

名称与编号

中文名: 暂无
中文别名: 暂无
英文名: [4-[3,7-Diphenyl-5-[4-(phosphonatomethyl)phenyl]-1,5,3,7-diazadiphosphocane-3,7-diium-1-yl]phenyl]methyl-dioxido-oxo-lambda5-phosphane;hydron;nickel(2+);trihydrobromide
CAS: 1514896-39-9
CID: 121237769
IUPAC 名称: bis([4-[3,7-diphenyl-5-[4-(phosphonatomethyl)phenyl]-1,5,3,7-diazadiphosphocane-3,7-diium-1-yl]phenyl]methyl-dioxido-oxo-lambda5-phosphane);hydron;nickel(2+);trihydrobromide

分子属性

分子式: C60H73Br3N4NiO12P8+4
分子量: 1588.4 g/mol
精确质量: 1586.0009 Da
单同位素质量: 1584.00295 Da
XLogP: 暂无
极性表面积: 266 Å²
氢键供体: 9
氢键受体: 16
可旋转键: 12
重原子数: 88
净电荷: 4
结构复杂度: 1780

结构标识

InChIKey: FDCPITJZBPJDQF-UHFFFAOYSA-P
SMILES: [H+].[H+].[H+].[H+].[H+].[H+].C1N(C[PH+](CN(C[PH+]1C2=CC=CC=C2)C3=CC=C(C=C3)CP(=O)([O-])[O-])C4=CC=CC=C4)C5=CC=C(C=C5)CP(=O)([O-])[O-].C1N(C[PH+](CN(C[PH+]1C2=CC=CC=C2)C3=CC=C(C=C3)CP(=O)([O-])[O-])C4=CC=CC=C4)C5=CC=C(C=C5)CP(=O)([O-])[O-].[Ni+2].Br.Br.Br
InChI: InChI=1S/2C30H34N2O6P4.3BrH.Ni/c2*33-41(34,35)19-25-11-15-27(16-12-25)31-21-39(29-7-3-1-4-8-29)22-32(24-40(23-31)30-9-5-2-6-10-30)28-17-13-26(14-18-28)20-42(36,37)38;;;;/h2*1-18H,19-24H2,(H2,33,34,35)(H2,36,37,38);3*1H;/q;;;;;+2/p+2