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

• CAS: 920739-11-3
• Catalog Number: ACM920739113-1
• Category: Other Products
• Molecular Weight: 676.4
• Molecular Formula: C42H48CuN2O2
• 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...
• 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
• Complexity: 744
• Covalently-Bonded Unit Count: 3
• Exact Mass: 675.301176
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• 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
• Undefined Bond Stereocenter Count: 1