Synonyms
MFCD29037181;Me4 t-ButylXPhos Palladacycle Gen. 3;1507403-85-1;Methanesulfonato(2-di-t-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-tri-i-propylbiphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II);
IUPAC Name
ditert-butyl-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide;
Molecular Weight
851.5g/mol
Molecular Formula
C46H67NO3PPdS+;
InChI
InChI=1S/C33H53P.C12H9N.CH4O3S.Pd/c1-19(2)26-17-27(20(3)4)30(28(18-26)21(5)6)29-24(9)22(7)23(8)25(10)31(29)34(32(11,12)13)33(14,15)16;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h17-21H,1-16H3;1-6,8-9,13H;1H3,(H,2,3,4);/q;-2;;+2/p+1;
InChI Key
JMEGCNBORPOUMP-UHFFFAOYSA-O;
Complexity
1250
Covalently-Bonded Unit Count
4
Exact Mass
850.361g/mol
Formal Charge
1
H-Bond Acceptor
5
H-Bond Donor
2
Heavy Atom Count
53
Monoisotopic Mass
850.361g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
63.8A^2
