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

Systemtic Name: 2,9-bis(2-cyclohexyl-3-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(2-cyclohexyl-3-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(2-cyclohexyl-3-methylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(2-cyclohexyl-3-methylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(2-cyclohexyl-3-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(=C1C2CCCCC2)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C7=C(C(=CC=C7)C)C8CCCCC8)C(=C3)C9=CC=CC=C9

Isomeric SMILES

CC1=CC=CC(=C1C2CCCCC2)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C7=C(C(=CC=C7)C)C8CCCCC8)C(=C3)C9=CC=CC=C9

InChI

InChI=1S/C50H48N2/c1-33-17-15-27-41(47(33)37-23-11-5-12-24-37)45-31-43(35-19-7-3-8-20-35)39-29-30-40-44(36-21-9-4-10-22-36)32-46(52-50(40)49(39)51-45)42-28-16-18-34(2)48(42)38-25-13-6-14-26-38/h3-4,7-10,15-22,27-32,37-38H,5-6,11-14,23-26H2,1-2H3