Synonyms
852445-84-2;Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydroimidazol-2-ylidene}gold(I);SIPrAuCl;MFCD29037186;Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]}-4,5-dihydroimidazol-2-ylidene]gold(I);
IUPAC Name
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]-chlorogold;
Molecular Weight
623.032g/mol
Molecular Formula
C27H38AuClN2;
Canonical SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2CCN(C2=[Au]Cl)C3=C(C=CC=C3C(C)C)C(C)C;
InChI
InChI=1S/C27H38N2.Au.ClH/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;;/h9-14,18-21H,15-16H2,1-8H3;;1H/q;+1;/p-1;
InChI Key
KBTULXWTYFHSDZ-UHFFFAOYSA-M;
Complexity
522
Covalently-Bonded Unit Count
1
Exact Mass
622.239g/mol
H-Bond Acceptor
2
Heavy Atom Count
31
Monoisotopic Mass
622.239g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
6.5A^2
