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

Systemtic Name: 2,9-bis(2-cyclohexyl-6-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(2-cyclohexyl-6-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(2-cyclohexyl-6-methylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(2-cyclohexyl-6-methylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(2-cyclohexyl-6-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Formula: C50H48N2 MolecularWeight: 676.92952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=C(C=CC=C6C)C7CCCCC7)C(=C2)C8=CC=CC=C8)C9CCCCC9

Isomeric SMILES

CC1=CC=CC(=C1C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=C(C=CC=C6C)C7CCCCC7)C(=C2)C8=CC=CC=C8)C9CCCCC9

InChI

InChI=1S/C50H48N2/c1-33-17-15-27-39(35-19-7-3-8-20-35)47(33)45-31-43(37-23-11-5-12-24-37)41-29-30-42-44(38-25-13-6-14-26-38)32-46(52-50(42)49(41)51-45)48-34(2)18-16-28-40(48)36-21-9-4-10-22-36/h5-6,11-18,23-32,35-36H,3-4,7-10,19-22H2,1-2H3