[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](1,3-diphenyl-1,3-propanedionato)copper(I)

Catalog Number	ACM920739113-1
CAS	920739-11-3
Structure
Synonyms	[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](1,3-diphenyl-1,3-propanedionato)copper(I);920739-11-3;
IUPAC Name	[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](1,3-diphenyl-1,3-pr...
Molecular Weight	676.4
Molecular Formula	C42H48CuN2O2
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.C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.[Cu]
InChI	InChI=1S/C27H36N2.C15H12O2.Cu/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;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h9-16,18-21H,1-8H3;1-11,16H;/b;14-11-;
InChI Key	QEXNUQSCWMWURE-CKWHXWLXSA-N
Purity	98%
Complexity	744
Covalently-Bonded Unit Count	3
Exact Mass	675.301176
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric 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.C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/O.[Cu]
Monoisotopic Mass	675.301176
Rotatable Bond Count	9
Topological Polar Surface Area	43.8 Ų