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

Systemtic Name: 2,9-bis(1-methylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(1-methyl-9-anthryl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(1-methyl-9-anthracenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(1-methylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(1-methyl-9-anthryl)-4,7-diphenyl-1,10-phenanthroline Formula: C54H36N2 MolecularWeight: 712.87704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC3=CC=CC=C3C(=C12)C4=NC5=C(C=CC6=C5N=C(C=C6C7=CC=CC=C7)C8=C9C(=CC=CC9=CC1=CC=CC=C18)C)C(=C4)C1=CC=CC=C1

Isomeric SMILES

CC1=CC=CC2=CC3=CC=CC=C3C(=C12)C4=NC5=C(C=CC6=C5N=C(C=C6C7=CC=CC=C7)C8=C9C(=CC=CC9=CC1=CC=CC=C18)C)C(=C4)C1=CC=CC=C1

InChI

InChI=1S/C54H36N2/c1-33-15-13-23-39-29-37-21-9-11-25-41(37)51(49(33)39)47-31-45(35-17-5-3-6-18-35)43-27-28-44-46(36-19-7-4-8-20-36)32-48(56-54(44)53(43)55-47)52-42-26-12-10-22-38(42)30-40-24-14-16-34(2)50(40)52/h3-32H,1-2H3