Synonyms
MFCD17018816;1150112-55-2;Chloro[(R)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl][(1R,2R)-cyclohexane-1,2-diamine]ruthenium(II) tetrakis(pentafluorophenyl)borate;
IUPAC Name
(1R,2R)-cyclohexane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride;
Molecular Weight
1552.442g/mol
Molecular Formula
C74H46BClF20N2P2Ru;
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.C1CCC(C(C1)N)N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Ru+2];
InChI
InChI=1S/C44H32P2.C24BF20.C6H14N2.ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;26-5-1(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;7-5-3-1-2-4-6(5)8;;/h1-32H;;5-6H,1-4,7-8H2;1H;/q;-1;;;+2/p-1/t;;5-,6-;;/m..1../s1;
InChI Key
MXBKXVJHGVMDSK-GSEQGPDBSA-M;
Complexity
1670
Covalently-Bonded Unit Count
5
Defined Atom Stereocenter Count
2
Exact Mass
1552.164g/mol
H-Bond Acceptor
24
H-Bond Donor
2
Heavy Atom Count
101
Monoisotopic Mass
1552.164g/mol
Rotatable Bond Count
11
Topological Polar Surface Area
52A^2
