2,9-bis[2-(2,8-dimethylnaphthalen-1-yl)propan-2-yl]-4,7-diphenyl-1,10-phenanthroline

Systemtic Name: 2,9-bis[2-(2,8-dimethylnaphthalen-1-yl)propan-2-yl]-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis[1-(2,8-dimethyl-1-naphthyl)-1-methyl-ethyl]-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis[2-(2,8-dimethyl-1-naphthalenyl)propan-2-yl]-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis[2-(2,8-dimethylnaphthalen-1-yl)propan-2-yl]-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis[1-(2,8-dimethyl-1-naphthyl)-1-methyl-ethyl]-4,7-diphenyl-1,10-phenanthroline Formula: C54H48N2 MolecularWeight: 724.97232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2C)C=C1)C(C)(C)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C(C)(C)C7=C(C=CC8=C7C(=CC=C8)C)C)C(=C3)C9=CC=CC=C9

Isomeric SMILES

CC1=C(C2=C(C=CC=C2C)C=C1)C(C)(C)C3=NC4=C(C=CC5=C4N=C(C=C5C6=CC=CC=C6)C(C)(C)C7=C(C=CC8=C7C(=CC=C8)C)C)C(=C3)C9=CC=CC=C9

InChI

InChI=1S/C54H48N2/c1-33-17-15-23-39-27-25-35(3)49(47(33)39)53(5,6)45-31-43(37-19-11-9-12-20-37)41-29-30-42-44(38-21-13-10-14-22-38)32-46(56-52(42)51(41)55-45)54(7,8)50-36(4)26-28-40-24-16-18-34(2)48(40)50/h9-32H,1-8H3