(1S,2S)-1,2-diphenylethane-1,2-diamine;[3-(4-diphenylphosphaniumyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]-diphenylphosphanium;ruthenium;dichloride的二维分子结构

(1S,2S)-1,2-diphenylethane-1,2-diamine;[3-(4-diphenylphosphaniumyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]-diphenylphosphanium;ruthenium;dichloride

(1S,2S)-1,2-diphenylethane-1,2-diamine;[3-(4-diphenylphosphaniumyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]-diphenylphosphanium;ruthenium;dichloride · CAS 821793-36-6

中文名
暂无
中文别名
暂无
英文名
(1S,2S)-1,2-diphenylethane-1,2-diamine;[3-(4-diphenylphosphaniumyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]-diphenylphosphanium;ruthenium;dichloride
CAS
821793-36-6
CID
73995179
IUPAC 名称
(1S,2S)-1,2-diphenylethane-1,2-diamine;[3-(4-diphenylphosphaniumyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]-diphenylphosphanium;ruthenium;dichloride

名称与编号

中文名
暂无
中文别名
暂无
英文名
(1S,2S)-1,2-diphenylethane-1,2-diamine;[3-(4-diphenylphosphaniumyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]-diphenylphosphanium;ruthenium;dichloride
CAS
821793-36-6
CID
73995179
IUPAC 名称
(1S,2S)-1,2-diphenylethane-1,2-diamine;[3-(4-diphenylphosphaniumyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]-diphenylphosphanium;ruthenium;dichloride

分子属性

分子式
C52H52Cl2N4O4P2Ru
分子量
1030.9 g/mol
精确质量
1030.188426 Da
单同位素质量
1030.188426 Da
XLogP
暂无
极性表面积
115 Ų
氢键供体
2
氢键受体
10
可旋转键
11
重原子数
65
净电荷
0
结构复杂度
949

结构标识

InChIKey
ONPAXHVWKWGZOZ-LISIALKWSA-N
SMILES
COC1=NC(=C(C(=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(C=C4[PH+](C5=CC=CC=C5)C6=CC=CC=C6)OC)OC)OC.C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)N)N.[Cl-].[Cl-].[Ru]
InChI
InChI=1S/C38H34N2O4P2.C14H16N2.2ClH.Ru/c1-41-33-25-31(45(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35(37(39-33)43-3)36-32(26-34(42-2)40-38(36)44-4)46(29-21-13-7-14-22-29)30-23-15-8-16-24-30;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h5-26H,1-4H3;1-10,13-14H,15-16H2;2*1H;/t;13-,14-;;;/m.0.../s1

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