2,9-bis(3-cyclohexyl-2,6-dimethyl-phenyl)-4,7-diphenyl-1,10-phenanthroline

Systemtic Name: 2,9-bis(3-cyclohexyl-2,6-dimethyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(3-cyclohexyl-2,6-dimethyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(3-cyclohexyl-2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(3-cyclohexyl-2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(3-cyclohexyl-2,6-dimethyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Formula: C52H52N2 MolecularWeight: 704.98268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2CCCCC2)C)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C7=C(C=CC(=C7C)C8CCCCC8)C)C(=C3)C9=CC=CC=C9

Isomeric SMILES

CC1=C(C(=C(C=C1)C2CCCCC2)C)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C7=C(C=CC(=C7C)C8CCCCC8)C)C(=C3)C9=CC=CC=C9

InChI

InChI=1S/C52H52N2/c1-33-25-27-41(37-17-9-5-10-18-37)35(3)49(33)47-31-45(39-21-13-7-14-22-39)43-29-30-44-46(40-23-15-8-16-24-40)32-48(54-52(44)51(43)53-47)50-34(2)26-28-42(36(50)4)38-19-11-6-12-20-38/h7-8,13-16,21-32,37-38H,5-6,9-12,17-20H2,1-4H3