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

Systemtic Name: 2,9-bis(2-cyclohexyl-5-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(2-cyclohexyl-5-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(2-cyclohexyl-5-methylphenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(2-cyclohexyl-5-methylphenyl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(2-cyclohexyl-5-methyl-phenyl)-4,7-diphenyl-1,10-phenanthroline Formula: C50H48N2 MolecularWeight: 676.92952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2CCCCC2)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(=C(C=C1)C2CCCCC2)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/c1-33-23-25-39(35-15-7-3-8-16-35)45(29-33)47-31-43(37-19-11-5-12-20-37)41-27-28-42-44(38-21-13-6-14-22-38)32-48(52-50(42)49(41)51-47)46-30-34(2)24-26-40(46)36-17-9-4-10-18-36/h5-6,11-14,19-32,35-36H,3-4,7-10,15-18H2,1-2H3