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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=CC3=CC=CC=C3C(=C21)C4=NC5=C(C=CC6=C5N=C(C=C6C7=CC=CC=C7)C8=C9C(=CC1=CC=CC=C18)C=CC=C9CC)C(=C4)C1=CC=CC=C1

Isomeric SMILES

CCC1=CC=CC2=CC3=CC=CC=C3C(=C21)C4=NC5=C(C=CC6=C5N=C(C=C6C7=CC=CC=C7)C8=C9C(=CC1=CC=CC=C18)C=CC=C9CC)C(=C4)C1=CC=CC=C1

InChI

InChI=1S/C56H40N2/c1-3-35-23-15-25-41-31-39-21-11-13-27-43(39)53(51(35)41)49-33-47(37-17-7-5-8-18-37)45-29-30-46-48(38-19-9-6-10-20-38)34-50(58-56(46)55(45)57-49)54-44-28-14-12-22-40(44)32-42-26-16-24-36(4-2)52(42)54/h5-34H,3-4H2,1-2H3