Synonyms
MFCD16038118;1443051-87-3;Dichloro[(S)-(-)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl][(S)-(-)-2-(a-methylmethanamine)-1H-benzimidazole]ruthenium(II);
IUPAC Name
(1S)-1-(1H-benzimidazol-2-yl)ethanamine;dichlororuthenium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;
Molecular Weight
955.866g/mol
Molecular Formula
C53H43Cl2N3P2Ru;
Canonical SMILES
CC(C1=NC2=CC=CC=C2N1)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]Cl;
InChI
InChI=1S/C44H32P2.C9H11N3.2ClH.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;1-6(10)9-11-7-4-2-3-5-8(7)12-9;;;/h1-32H;2-6H,10H2,1H3,(H,11,12);2*1H;/q;;;;+2/p-2/t;6-;;;/m.0.../s1;
InChI Key
OYSJBDADYATLDC-MORFCFLESA-L;
Complexity
960
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
1
Exact Mass
955.135g/mol
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
61
Monoisotopic Mass
955.135g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
54.7A^2
