2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline

Systemtic Name: 2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(1,8-dimethyl-9-anthryl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(1,8-dimethyl-9-anthracenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(1,8-dimethyl-9-anthryl)-4,7-diphenyl-1,10-phenanthroline Formula: C56H40N2 MolecularWeight: 740.9302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC3=C(C(=CC=C3)C)C(=C12)C4=NC5=C(C=CC6=C5N=C(C=C6C7=CC=CC=C7)C8=C9C(=CC=CC9=CC1=C8C(=CC=C1)C)C)C(=C4)C1=CC=CC=C1

Isomeric SMILES

CC1=CC=CC2=CC3=C(C(=CC=C3)C)C(=C12)C4=NC5=C(C=CC6=C5N=C(C=C6C7=CC=CC=C7)C8=C9C(=CC=CC9=CC1=C8C(=CC=C1)C)C)C(=C4)C1=CC=CC=C1

InChI

InChI=1S/C56H40N2/c1-33-15-11-23-39-29-40-24-12-16-34(2)50(40)53(49(33)39)47-31-45(37-19-7-5-8-20-37)43-27-28-44-46(38-21-9-6-10-22-38)32-48(58-56(44)55(43)57-47)54-51-35(3)17-13-25-41(51)30-42-26-14-18-36(4)52(42)54/h5-32H,1-4H3