2,9-bis(4-cyclohexyl-3,5-dimethyl-phenyl)-4,7-diphenyl-1,10-phenanthroline

Systemtic Name: 2,9-bis(4-cyclohexyl-3,5-dimethyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(4-cyclohexyl-3,5-dimethyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(4-cyclohexyl-3,5-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(4-cyclohexyl-3,5-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(4-cyclohexyl-3,5-dimethyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Formula: C52H52N2 MolecularWeight: 704.98268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2CCCCC2)C)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C7=CC(=C(C(=C7)C)C8CCCCC8)C)C(=C3)C9=CC=CC=C9

Isomeric SMILES

CC1=CC(=CC(=C1C2CCCCC2)C)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C7=CC(=C(C(=C7)C)C8CCCCC8)C)C(=C3)C9=CC=CC=C9

InChI

InChI=1S/C52H52N2/c1-33-27-41(28-34(2)49(33)39-21-13-7-14-22-39)47-31-45(37-17-9-5-10-18-37)43-25-26-44-46(38-19-11-6-12-20-38)32-48(54-52(44)51(43)53-47)42-29-35(3)50(36(4)30-42)40-23-15-8-16-24-40/h5-6,9-12,17-20,25-32,39-40H,7-8,13-16,21-24H2,1-4H3