Synonyms
1867120-15-7;delta-Tris[(1S,2S)-1,2-diphenyl-1,2-ethanediamine]cobalt(III) chloride tetrakis(2,3,4,5,6-pentafluorophenyl)borate trihydrate SKJ-3;
IUPAC Name
(2-azanidyl-1,2-diphenylethyl)azanide;cobalt(3+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;
Molecular Weight
1368.815g/mol
Molecular Formula
C66H42BCoF20N6-4;
Canonical 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;
InChI Key
NURLGKOHPYTJSP-UHFFFAOYSA-N;
Complexity
1430
Covalently-Bonded Unit Count
5
Exact Mass
1368.258g/mol
Formal Charge
-4
H-Bond Acceptor
27
H-Bond Donor
6
Heavy Atom Count
94
Monoisotopic Mass
1368.258g/mol
Rotatable Bond Count
10
Topological Polar Surface Area
6A^2
Undefined Atom Stereocenter Count
6
