iron(3+); 1,10-phenanthroline; trihexafluorophosphate

Systemtic Name: iron(3+); 1,10-phenanthroline; trihexafluorophosphate Openeye Name: ferric 1,10-phenanthroline trihexafluorophosphate CAS Name: iron(3+); 1,10-phenanthroline; trihexafluorophosphate IUPAC Name: iron(3+); 1,10-phenanthroline; trihexafluorophosphate Traditional Name: ferric 1,10-phenanthroline trihexafluorophosphate Formula: C36H24F18FeN6P3 MolecularWeight: 1031.353501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+3]

Isomeric SMILES

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+3]

InChI

InChI=1S/3C12H8N2.3F6P.Fe/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-7(2,3,4,5)6;/h3*1-8H;;;;/q;;;3*-1;+3