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

Systemtic Name: 2,9-bis(2,5-dimethyl-3-phenyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(2,5-dimethyl-3-phenyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(2,5-dimethyl-3-phenylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(2,5-dimethyl-3-phenylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(2,5-dimethyl-3-phenyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Formula: C52H40N2 MolecularWeight: 692.8874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC=CC=C2)C)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C7=C(C(=CC(=C7)C)C8=CC=CC=C8)C)C(=C3)C9=CC=CC=C9

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC=CC=C2)C)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C7=C(C(=CC(=C7)C)C8=CC=CC=C8)C)C(=C3)C9=CC=CC=C9

InChI

InChI=1S/C52H40N2/c1-33-27-43(37-17-9-5-10-18-37)35(3)45(29-33)49-31-47(39-21-13-7-14-22-39)41-25-26-42-48(40-23-15-8-16-24-40)32-50(54-52(42)51(41)53-49)46-30-34(2)28-44(36(46)4)38-19-11-6-12-20-38/h5-32H,1-4H3