Synonyms
MFCD22666054;1,3-Bis(2,6-di-i-propylphenyl)imidazol-2-ylidenegold(I) hydroxide;1240328-73-7;
IUPAC Name
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazole;gold;hydrate;
Molecular Weight
603.581g/mol
Molecular Formula
C27H38AuN2O;
Canonical SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN([C]2)C3=C(C=CC=C3C(C)C)C(C)C.O.[Au];
InChI
InChI=1S/C27H36N2.Au.H₂O/c1-18(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;;/h9-16,18-21H,1-8H3;;1H2;
InChI Key
QPUIPCDJKAPHHA-UHFFFAOYSA-N;
Complexity
459
Covalently-Bonded Unit Count
3
Exact Mass
603.265g/mol
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
31
Monoisotopic Mass
603.265g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
7.5A^2
