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

Systemtic Name: 2,9-bis(2-methyl-5-phenyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(2-methyl-5-phenyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(2-methyl-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(2-methyl-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(2-methyl-5-phenyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Formula: C50H36N2 MolecularWeight: 664.83424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H36N2/c1-33-23-25-39(35-15-7-3-8-16-35)29-43(33)47-31-45(37-19-11-5-12-20-37)41-27-28-42-46(38-21-13-6-14-22-38)32-48(52-50(42)49(41)51-47)44-30-40(26-24-34(44)2)36-17-9-4-10-18-36/h3-32H,1-2H3