Synonyms
MFCD17018818;1150112-44-9;Chloro[(R)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl][2-(diphenylphosphino)ethanamine]ruthenium(II) tetrafluoroborate;
IUPAC Name
2-diphenylphosphanylethanamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride;tetrafluoroborate;
Molecular Weight
1075.274g/mol
Molecular Formula
C58H48BClF4NP3Ru;
Canonical SMILES
[B-](F)(F)(F)F.C1=CC=C(C=C1)P(CCN)C2=CC=CC=C2.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.C14H16NP.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;15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1(3,4)5;;/h1-32H;1-10H,11-12,15H2;;1H;/q;;-1;;+2/p-1;
InChI Key
WHFVXMCYJADYIO-UHFFFAOYSA-M;
Complexity
981
Covalently-Bonded Unit Count
5
Exact Mass
1075.176g/mol
H-Bond Acceptor
7
H-Bond Donor
1
Heavy Atom Count
69
Monoisotopic Mass
1075.176g/mol
Rotatable Bond Count
11
Topological Polar Surface Area
26A^2
