copper(1+); 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline

Systemtic Name: copper(1+); 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline Openeye Name: cuprous 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline CAS Name: copper(1+); 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline IUPAC Name: copper(1+); 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline Traditional Name: cuprous 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline Formula: C52H40CuN4+ MolecularWeight: 784.4468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.[Cu+]

Isomeric SMILES

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.[Cu+]

InChI

InChI=1S/2C26H20N2.Cu/c2*1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;/h2*3-16H,1-2H3;/q;;+1