Synonyms
MFCD17018823;1150112-87-0;Chloro[(S)-(-)-2,2'-bis[diphenylphosphino]-1,1'-binaphthyl][(S)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine]ruthenium(II) tetrakis(pentafluorophenyl)borate;
IUPAC Name
(2S)-1,1-bis(4-methoxyphenyl)-3-methylbutane-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
1752.679g/mol
Molecular Formula
C87H58BClF20N2O2P2Ru;
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.CC(C)C(C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)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.C19H26N2O2.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;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;;/h1-32H;;5-13,18H,20-21H2,1-4H3;1H;/q;-1;;;+2/p-1/t;;18-;;/m..0../s1;
InChI Key
JCHWHTRUNUSKHR-KIBZQSNASA-M;
Complexity
1930
Covalently-Bonded Unit Count
5
Defined Atom Stereocenter Count
1
Exact Mass
1752.248g/mol
H-Bond Acceptor
26
H-Bond Donor
2
Heavy Atom Count
116
Monoisotopic Mass
1752.248g/mol
Rotatable Bond Count
17
Topological Polar Surface Area
70.5A^2
