Synonyms
MFCD28144562;1445086-12-3;Methanesulfonato(tricyclohexylphosphine)(2'-amino-1,1'-biphenyl-2-yl)palladium(II) dichloromethane adduct;
IUPAC Name
dichloromethane;methanesulfonic acid;palladium;2-phenylaniline;tricyclohexylphosphane;
Molecular Weight
736.102g/mol
Molecular Formula
C32H49Cl2NO3PPdS-;
Canonical SMILES
CS(=O)(=O)O.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1=CC=C([C-]=C1)C2=CC=CC=C2N.C(Cl)Cl.[Pd];
InChI
InChI=1S/C18H33P.C12H10N.CH2Cl2.CH4O3S.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1-3;1-5(2,3)4;/h16-18H,1-15H2;1-6,8-9H,13H2;1H2;1H3,(H,2,3,4);/q;-1;;;;
InChI Key
DXWSVUBOOZZYRY-UHFFFAOYSA-N;
Complexity
653
Covalently-Bonded Unit Count
5
Exact Mass
734.158g/mol
Formal Charge
-1
H-Bond Acceptor
5
H-Bond Donor
2
Heavy Atom Count
41
Monoisotopic Mass
734.158g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
88.8A^2
