2,9-bis[1-(2,6-dimethylphenyl)ethyl]-4,7-diphenyl-1,10-phenanthroline

Systemtic Name: 2,9-bis[1-(2,6-dimethylphenyl)ethyl]-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis[1-(2,6-dimethylphenyl)ethyl]-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis[1-(2,6-dimethylphenyl)ethyl]-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis[1-(2,6-dimethylphenyl)ethyl]-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis[1-(2,6-dimethylphenyl)ethyl]-4,7-diphenyl-1,10-phenanthroline Formula: C44H40N2 MolecularWeight: 596.8018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(C)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C(C)C6=C(C=CC=C6C)C)C(=C2)C7=CC=CC=C7

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(C)C2=NC3=C(C=CC4=C3N=C(C=C4C5=CC=CC=C5)C(C)C6=C(C=CC=C6C)C)C(=C2)C7=CC=CC=C7

InChI

InChI=1S/C44H40N2/c1-27-15-13-16-28(2)41(27)31(5)39-25-37(33-19-9-7-10-20-33)35-23-24-36-38(34-21-11-8-12-22-34)26-40(46-44(36)43(35)45-39)32(6)42-29(3)17-14-18-30(42)4/h7-26,31-32H,1-6H3