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

Systemtic Name: 2,9-bis(3-methyl-5-phenyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(3-methyl-5-phenyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(3-methyl-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(3-methyl-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(3-methyl-5-phenyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Formula: C50H36N2 MolecularWeight: 664.83424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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