iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate

C30H24F12FeN6P2 — CID 45045670

IUPACiron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2F6P.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2
InChIKeyFTBIBFKOIGZIGA-UHFFFAOYSA-N
MW814.33 g/mol
LogP13.19
Rot. Bonds3

About iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate

iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate (PubChem CID 45045670) has the molecular formula C30H24F12FeN6P2 and a molecular weight of 814.33 g/mol. Its IUPAC name is iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate.

Molecular Properties

Compound Nameiron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate
PubChem CID45045670
Molecular FormulaC30H24F12FeN6P2
Molecular Weight814.33 g/mol
Exact Mass814.07
IUPAC Nameiron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2F6P.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2
InChIKeyFTBIBFKOIGZIGA-UHFFFAOYSA-N
XLogP13.19
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.33
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate?
The IUPAC name of iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate (CID 45045670) is iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate.
What is the SMILES notation for iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate?
The canonical SMILES for iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate?
The InChIKey is FTBIBFKOIGZIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H8N2.2F6P.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2.
What are the key properties of iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate?
iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate has a molecular weight of 814.33 g/mol, XLogP of 13.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate is sourced from PubChem (CID 45045670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).