Synonyms
MFCD17018821;1150112-86-9;Chloro[(S)-(-)-2,2'-bis[diphenylphosphino]-1,1'-binaphthyl][(S)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine]ruthenium(II) tetrafluoroborate;
IUPAC Name
(2S)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride;tetrafluoroborate;
Molecular Weight
1160.44g/mol
Molecular Formula
C63H58BClF4N2O2P2Ru;
Canonical SMILES
[B-](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.C19H26N2O2.BF4.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;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;2-1(3,4)5;;/h1-32H;5-13,18H,20-21H2,1-4H3;;1H;/q;;-1;;+2/p-1/t;18-;;;/m.0.../s1;
InChI Key
VSIXHVJGZGXINL-OGLOXHGMSA-M;
Complexity
1140
Covalently-Bonded Unit Count
5
Defined Atom Stereocenter Count
1
Exact Mass
1160.273g/mol
H-Bond Acceptor
10
H-Bond Donor
2
Heavy Atom Count
76
Monoisotopic Mass
1160.273g/mol
Rotatable Bond Count
13
Topological Polar Surface Area
70.5A^2
