Synonyms
SCHEMBL19469283;1334547-76-0;Chloro(2-(bis[3,5-bis(trifluoromethyl)phenyl]phosphino)-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl)gold(i);Chloro(2-{bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl)gold(I), 97%;
IUPAC Name
bis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;chlorogold;
Molecular Weight
1029.094g/mol
Molecular Formula
C39H37AuClF12O2P;
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.Cl[Au];
InChI
InChI=1S/C39H37F12O2P.Au.ClH/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;;/h9-21H,1-8H3;;1H/q;+1;/p-1;
InChI Key
KULLQYGMPDHKQB-UHFFFAOYSA-M;
Complexity
1070
Covalently-Bonded Unit Count
2
Exact Mass
1028.169g/mol
H-Bond Acceptor
14
Heavy Atom Count
56
Monoisotopic Mass
1028.169g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
18.5A^2
