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

Catalog Number	ACM1445972291-1
CAS	1445972-29-1
Synonyms	AdBrettPhos Palladacycle Gen. 3
Molecular Weight	1011.7
Molecular Formula	C56H75NO5PPdS
Canonical SMILES	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7)OC)OC)C(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
InChI	InChI=1S/C43H61O2P.C12H10N.CH4O3S.Pd/c1-25(2)34-17-35(26(3)4)39(36(18-34)27(5)6)40-37(44-7)9-10-38(45-8)41(40)46(42-19-28-11-29(20-42)13-30(12-28)21-42)43-22-31-14-32(23-43)16-33(15-31)24-43;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h9-10,17-18,25-33H,11-16,19-24H2,1-8H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;
InChI Key	UINTUPLALLRRLD-UHFFFAOYSA-N
Purity	98%
Appearance	Brown to green solid
Complexity	1380
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	1010.41384
Heavy Atom Count	65
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Monoisotopic Mass	1010.41384
Rotatable Bond Count	10
Topological Polar Surface Area	107 Ų