Synonyms
1140531-94-7;tBuXPhos Au(MeCN)SbF6;DTXSID30676994;tert-Butyl XPhos Au(MeCN)SbF6;PUBCHEM_46872310;(Acetonitrile)[2-di-tert-butyl(2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropylbiphenyl)phosphine]gold(I) hexafluoroantimonate;(Acetonitrile)[2-di-tert-butyl(2',4',6'-triisopropylbiphenyl)phosphine]gold(I) hexafluoroantimonate;
IUPAC Name
acetonitrile;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;gold(1+);hexafluoroantimony(1-);
Molecular Weight
898.423g/mol
Molecular Formula
C31H48AuF6NPSb;
Canonical SMILES
CC#N.CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C.F[Sb-](F)(F)(F)(F)F.[Au+];
InChI
InChI=1S/C29H45P.C2H3N.Au.6FH.Sb/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;1-2-3;;;;;;;;/h13-21H,1-12H3;1H3;;6*1H;/q;;+1;;;;;;;+5/p-6;
InChI Key
PYTYQNZDJXLXIE-UHFFFAOYSA-H;
Complexity
578
Covalently-Bonded Unit Count
4
Exact Mass
897.213g/mol
H-Bond Acceptor
8
Heavy Atom Count
41
Monoisotopic Mass
897.213g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
23.8A^2
