Synonyms
C58H54Cl2P2Ru;1034001-51-8;(R)-RuCl[(p-cymene)(T-BINAP)]Cl;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;R0148;
IUPAC Name
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(3+);dichloride;
Molecular Weight
984.988g/mol
Molecular Formula
C58H54Cl2P2Ru+;
Canonical SMILES
CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.[Cl-].[Cl-].[Ru+3];
InChI
InChI=1S/C48H40P2.C10H14.2ClH.Ru/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-8(2)10-6-4-9(3)5-7-10;;;/h5-32H,1-4H3;4-8H,1-3H3;2*1H;/q;;;;+3/p-2;
InChI Key
ZKAJUZRGXDGAJV-UHFFFAOYSA-L;
Complexity
983
Covalently-Bonded Unit Count
5
Exact Mass
984.212g/mol
Formal Charge
1
H-Bond Acceptor
2
Heavy Atom Count
63
Monoisotopic Mass
984.212g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
0A^2
