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

Systemtic Name: 2,9-bis(2,4-dimethyl-3-phenyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(2,4-dimethyl-3-phenyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(2,4-dimethyl-3-phenylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(2,4-dimethyl-3-phenylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(2,4-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=C(C(=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=C(C(=C(C=C6)C)C7=CC=CC=C7)C)C(=C2)C8=CC=CC=C8)C)C9=CC=CC=C9

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=C(C(=C(C=C6)C)C7=CC=CC=C7)C)C(=C2)C8=CC=CC=C8)C)C9=CC=CC=C9

InChI

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