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

Systemtic Name: 2,9-bis[1-(1-methyl-9,10-dihydroanthracen-9-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis[1-(1-methyl-9,10-dihydroanthracen-9-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis[1-(1-methyl-9,10-dihydroanthracen-9-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis[1-(1-methyl-9,10-dihydroanthracen-9-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis[1-(1-methyl-9,10-dihydroanthracen-9-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline Formula: C58H48N2 MolecularWeight: 773.01512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(C3=CC=CC=C3C2)C(C)C4=NC5=C(C=CC6=C5N=C(C=C6C7=CC=CC=C7)C(C)C8C9=CC=CC=C9CC1=C8C(=CC=C1)C)C(=C4)C1=CC=CC=C1

Isomeric SMILES

CC1=CC=CC2=C1C(C3=CC=CC=C3C2)C(C)C4=NC5=C(C=CC6=C5N=C(C=C6C7=CC=CC=C7)C(C)C8C9=CC=CC=C9CC1=C8C(=CC=C1)C)C(=C4)C1=CC=CC=C1

InChI

InChI=1S/C58H48N2/c1-35-17-15-25-43-31-41-23-11-13-27-45(41)55(53(35)43)37(3)51-33-49(39-19-7-5-8-20-39)47-29-30-48-50(40-21-9-6-10-22-40)34-52(60-58(48)57(47)59-51)38(4)56-46-28-14-12-24-42(46)32-44-26-16-18-36(2)54(44)56/h5-30,33-34,37-38,55-56H,31-32H2,1-4H3