4,7-diphenyl-1,10-phenanthroline; iron(2+)

Systemtic Name: 4,7-diphenyl-1,10-phenanthroline; iron(2+) Openeye Name: ferrous 4,7-diphenyl-1,10-phenanthroline CAS Name: 4,7-diphenyl-1,10-phenanthroline; iron(2+) IUPAC Name: 4,7-diphenyl-1,10-phenanthroline; iron(2+) Traditional Name: ferrous 4,7-diphenyl-1,10-phenanthroline Formula: C72H48FeN6+2 MolecularWeight: 1053.03672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Fe+2]

InChI

InChI=1S/3C24H16N2.Fe/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;/h3*1-16H;/q;;;+2