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

Systemtic Name: 2,9-bis(2-cyclohexyl-3,6-dimethyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(2-cyclohexyl-3,6-dimethyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(2-cyclohexyl-3,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(2-cyclohexyl-3,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(2-cyclohexyl-3,6-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)C)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=C(C=CC(=C6C7CCCCC7)C)C)C(=C2)C8=CC=CC=C8)C9CCCCC9

Isomeric SMILES

CC1=C(C(=C(C=C1)C)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=C(C=CC(=C6C7CCCCC7)C)C)C(=C2)C8=CC=CC=C8)C9CCCCC9

InChI

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