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

Systemtic Name: 4,7-diphenyl-1,10-phenanthroline; iron(2+); diperchlorate Openeye Name: ferrous 4,7-diphenyl-1,10-phenanthroline diperchlorate CAS Name: 4,7-diphenyl-1,10-phenanthroline; iron(2+); diperchlorate IUPAC Name: 4,7-diphenyl-1,10-phenanthroline; iron(2+); diperchlorate Traditional Name: ferrous 4,7-diphenyl-1,10-phenanthroline diperchlorate Formula: C72H48Cl2FeN6O8 MolecularWeight: 1251.93792

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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.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[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.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

InChI

InChI=1S/3C24H16N2.2ClHO4.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;2*2-1(3,4)5;/h3*1-16H;2*(H,2,3,4,5);/q;;;;;+2/p-2