2,9-bis(chloranyl)-1,10-phenanthroline; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline

Systemtic Name: 2,9-bis(chloranyl)-1,10-phenanthroline; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-dichloro-1,10-phenanthroline; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-dichloro-1,10-phenanthroline; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-dichloro-1,10-phenanthroline; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-dichloro-1,10-phenanthroline; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline Formula: C38H26Cl2N4 MolecularWeight: 609.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.C1=CC2=C(C3=C1C=CC(=N3)Cl)N=C(C=C2)Cl

Isomeric SMILES

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.C1=CC2=C(C3=C1C=CC(=N3)Cl)N=C(C=C2)Cl

InChI

InChI=1S/C26H20N2.C12H6Cl2N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;13-9-5-3-7-1-2-8-4-6-10(14)16-12(8)11(7)15-9/h3-16H,1-2H3;1-6H