![Methanesulfonato(2-dicyclohexylphosphino-2',6'-di-i-propoxy-1,1'-biphenyl)(2'-methylamino-1,1'-biphenyl-2-yl)palladium(II), min. 98% [RuPhos Palladacycle Gen. 4]](https://resource.alfa-chemistry.com/structure/1599466-85-9.gif)
Synonyms
1599466-85-9;
IUPAC Name
dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;methanesulfonic acid;N-methyl-2-phenylaniline;palladium;
Molecular Weight
851.412g/mol
Molecular Formula
C44H59NO5PPdS-;
Canonical SMILES
CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.CNC1=CC=CC=C1C2=CC=CC=[C-]2.CS(=O)(=O)O.[Pd];
InChI
InChI=1S/C30H43O2P.C13H12N.CH4O3S.Pd/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;/h11-13,18-25H,5-10,14-17H2,1-4H3;2-7,9-10,14H,1H3;1H3,(H,2,3,4);/q;-1;;;
InChI Key
HKTUNFGUTFGOSP-UHFFFAOYSA-N;
Complexity
979
Covalently-Bonded Unit Count
4
Exact Mass
850.289g/mol
Formal Charge
-1
H-Bond Acceptor
7
H-Bond Donor
2
Heavy Atom Count
53
Monoisotopic Mass
850.289g/mol
Rotatable Bond Count
10
Topological Polar Surface Area
93.2A^2
