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

Systemtic Name: 2,9-bis(3-cyclohexyl-2-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(3-cyclohexyl-2-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(3-cyclohexyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(3-cyclohexyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(3-cyclohexyl-2-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Formula: C50H48N2 MolecularWeight: 676.92952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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