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

Systemtic Name: 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis[1-(2,8-dimethyl-1-naphthyl)ethyl]-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis[1-(2,8-dimethyl-1-naphthalenyl)ethyl]-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis[1-(2,8-dimethyl-1-naphthyl)ethyl]-4,7-diphenyl-1,10-phenanthroline Formula: C52H44N2 MolecularWeight: 696.91916

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C52H44N2/c1-31-15-13-21-39-25-23-33(3)47(49(31)39)35(5)45-29-43(37-17-9-7-10-18-37)41-27-28-42-44(38-19-11-8-12-20-38)30-46(54-52(42)51(41)53-45)36(6)48-34(4)24-26-40-22-14-16-32(2)50(40)48/h7-30,35-36H,1-6H3