1,3-bis[2,6-di(propan-2-yl)phenyl]imidazole; copper(1+); phenylazanide

Systemtic Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazole; copper(1+); phenylazanide Openeye Name: cuprous; 1,3-bis(2,6-diisopropylphenyl)imidazole; phenylazanide CAS Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazole; copper(1+); phenylazanide IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazole; copper(1+); phenylazanide Traditional Name: cuprous; 1,3-bis(2,6-diisopropylphenyl)imidazole; phenylazanide Formula: C33H42CuN3 MolecularWeight: 544.25268

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Descriptors Computed from Structure

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)[NH-].[Cu+]

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)[NH-].[Cu+]

InChI

InChI=1S/C27H36N2.C6H6N.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;7-6-4-2-1-3-5-6;/h9-16,18-21H,1-8H3;1-5,7H;/q;-1;+1