Synonyms
MFCD28144568;1262545-44-7;Bis{1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene}-micro-hydroxydigold(I) tetrafluoroborate;
IUPAC Name
oxidanium;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;gold;tetrafluoroborate;
Molecular Weight
1280.99g/mol
Molecular Formula
C54H79Au2BF4N4O;
Canonical SMILES
[B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2CN(C=C2)C3=C(C=CC=C3C(C)C)C(C)C.CC(C)C1=C(C(=CC=C1)C(C)C)N2CN(C=C2)C3=C(C=CC=C3C(C)C)C(C)C.[OH3+].[Au].[Au];
InChI
InChI=1S/2C27H38N2.2Au.BF4.H₂O/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;;2-1(3,4)5;/h2*9-16,18-21H,17H2,1-8H3;;;;1H2/q;;;;-1;/p+1;
InChI Key
UOEFWRNBKJUZAJ-UHFFFAOYSA-O;
Complexity
479
Covalently-Bonded Unit Count
6
Exact Mass
1280.561g/mol
H-Bond Acceptor
9
H-Bond Donor
1
Heavy Atom Count
66
Monoisotopic Mass
1280.561g/mol
Rotatable Bond Count
12
Topological Polar Surface Area
14A^2
