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

Systemtic Name: 2,9-bis(2-cyclohexyl-4-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(2-cyclohexyl-4-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(2-cyclohexyl-4-methylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(2-cyclohexyl-4-methylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(2-cyclohexyl-4-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(=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=C(C=C(C=C6)C)C7CCCCC7)C(=C2)C8=CC=CC=C8)C9CCCCC9

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=C(C=C(C=C6)C)C7CCCCC7)C(=C2)C8=CC=CC=C8)C9CCCCC9

InChI

InChI=1S/C50H48N2/c1-33-23-25-39(43(29-33)35-15-7-3-8-16-35)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)40-26-24-34(2)30-44(40)36-17-9-4-10-18-36/h5-6,11-14,19-32,35-36H,3-4,7-10,15-18H2,1-2H3