Synonyms
MFCD17018825;1150112-53-0;Chloro[(R)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl)][(1R,2R)-2-(diphenylphosphino)-1,2-diphenylethanamine]ruthenium(II) tetrakis(pentafluorophenyl)borate;
IUPAC Name
(1R,2R)-2-diphenylphosphanyl-1,2-diphenylethanamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride;
Molecular Weight
1819.708g/mol
Molecular Formula
C94H56BClF20NP3Ru;
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)P(C3=CC=CC=C3)C4=CC=CC=C4)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.C26H24NP.C24BF20.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;27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(23-17-9-3-10-18-23)24-19-11-4-12-20-24;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;;/h1-32H;1-20,25-26H,27H2;;1H;/q;;-1;;+2/p-1/t;25-,26-;;;/m.1.../s1;
InChI Key
QRNMHBCEKAVLMX-CVWRRACQSA-M;
Complexity
2010
Covalently-Bonded Unit Count
5
Defined Atom Stereocenter Count
2
Exact Mass
1820.216g/mol
H-Bond Acceptor
23
H-Bond Donor
1
Heavy Atom Count
121
Monoisotopic Mass
1819.213g/mol
Rotatable Bond Count
17
Topological Polar Surface Area
26A^2
