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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2CCCCC2)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C7=C(C=C(C=C7C8CCCCC8)C)C)C(=C3)C9=CC=CC=C9)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2CCCCC2)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C7=C(C=C(C=C7C8CCCCC8)C)C)C(=C3)C9=CC=CC=C9)C

InChI

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