Methanesulfonato[4,6-bis(diphenylphosphino)phenoxazine](2'-amino-1,1'-biphenyl-2-yl)palladium(II)

Catalog Number	ACM1602922031-1
CAS	1602922-03-1
Synonyms	NiXantphos Palladacycle Gen. 3
Molecular Weight	922.3
Molecular Formula	C49H41N2O4P2PdS
Canonical SMILES	CS(=O)(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C(N4)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
InChI	InChI=1S/C36H27NOP2.C12H10N.CH4O3S.Pd/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h1-26,37H;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;
InChI Key	UWXQGGFJCNBWEV-UHFFFAOYSA-N
Purity	98%
Appearance	Light green yellow solid
Complexity	1120
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	921.12971
Heavy Atom Count	59
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Monoisotopic Mass	921.12971
Rotatable Bond Count	7
Topological Polar Surface Area	110 Ų