Methanesulfonato[2-bis(3,5-di(trifluoromethyl)phenylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl](2'-amino-1,1'-biphenyl-2-yl)palladium(II)

Catalog Number	ACM2102544352-1
CAS	2102544-35-2
Synonyms	[(2-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphine}-3,6-dimethoxy- 2',4',6'- triisopropyl-1,1'-biphenyl )-2-(2'-amino-1,1'-biphenyl)]palladium(II) methanesulfonate
Molecular Weight	1167.4
Molecular Formula	C52H51F12NO5PPdS
Canonical SMILES	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)OC)OC)C(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
InChI	InChI=1S/C39H37F12O2P.C12H10N.CH4O3S.Pd/c1-19(2)22-11-29(20(3)4)33(30(12-22)21(5)6)34-31(52-7)9-10-32(53-8)35(34)54(27-15-23(36(40,41)42)13-24(16-27)37(43,44)45)28-17-25(38(46,47)48)14-26(18-28)39(49,50)51;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h9-21H,1-8H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;
InChI Key	VUXQLXUMYKLNDY-UHFFFAOYSA-N
Purity	98%
Appearance	White powder
Complexity	1520
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	1166.20688
Heavy Atom Count	73
Hydrogen Bond Acceptor Count	19
Hydrogen Bond Donor Count	2
Monoisotopic Mass	1166.20688
Rotatable Bond Count	10
Topological Polar Surface Area	107 Ų