delta-Tris[(1S,2S)-1,2-diphenyl-1,2-ethanediamine]cobalt(III) chloride tetrakis(2,3,4,5,6-pentafluorophenyl)borate trihydrate SKJ-3的二维分子结构

delta-Tris[(1S,2S)-1,2-diphenyl-1,2-ethanediamine]cobalt(III) chloride tetrakis(2,3,4,5,6-pentafluorophenyl)borate trihydrate SKJ-3

delta-Tris[(1S,2S)-1,2-diphenyl-1,2-ethanediamine]cobalt(III) chloride tetrakis(2,3,4,5,6-pentafluorophenyl)borate trihydrate SKJ-3 · CAS 1867120-15-7

中文名
暂无
中文别名
暂无
英文名
delta-Tris[(1S,2S)-1,2-diphenyl-1,2-ethanediamine]cobalt(III) chloride tetrakis(2,3,4,5,6-pentafluorophenyl)borate trihydrate SKJ-3
CAS
1867120-15-7
CID
134159240
IUPAC 名称
tris((2-azanidyl-1,2-diphenylethyl)azanide);cobalt(3+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

名称与编号

中文名
暂无
中文别名
暂无
英文名
delta-Tris[(1S,2S)-1,2-diphenyl-1,2-ethanediamine]cobalt(III) chloride tetrakis(2,3,4,5,6-pentafluorophenyl)borate trihydrate SKJ-3
CAS
1867120-15-7
CID
134159240
IUPAC 名称
tris((2-azanidyl-1,2-diphenylethyl)azanide);cobalt(3+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

分子属性

分子式
C66H42BCoF20N6-4
分子量
1368.8 g/mol
精确质量
1368.257657 Da
单同位素质量
1368.257657 Da
XLogP
暂无
极性表面积
6 Ų
氢键供体
6
氢键受体
27
可旋转键
10
重原子数
94
净电荷
-4
结构复杂度
1430

结构标识

InChIKey
NURLGKOHPYTJSP-UHFFFAOYSA-N
SMILES
[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[NH-])[NH-].C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[NH-])[NH-].C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[NH-])[NH-].[Co+3]
InChI
InChI=1S/C24BF20.3C14H14N2.Co/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;3*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h;3*1-10,13-16H;/q-1;3*-2;+3

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