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

Systemtic Name: 2,9-bis(5-cyclohexyl-2-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(5-cyclohexyl-2-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(5-cyclohexyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(5-cyclohexyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(5-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=C(C=C1)C2CCCCC2)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=C(C=C1)C2CCCCC2)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/c1-33-23-25-39(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/h5-6,11-14,19-32,35-36H,3-4,7-10,15-18H2,1-2H3