tris(iron(2+));hexacyanide

C6Fe3N6 — CID 73357772

IUPACtris(iron(2+));hexacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/6CN.3Fe/c6*1-2;;;/q6*-1;3*+2
InChIKeyYWBREQLMDUVNIR-UHFFFAOYSA-N
MW323.64 g/mol
LogP0.57
Rot. Bonds

About tris(iron(2+));hexacyanide

tris(iron(2+));hexacyanide (PubChem CID 73357772) has the molecular formula C6Fe3N6 and a molecular weight of 323.64 g/mol. Its IUPAC name is tris(iron(2+));hexacyanide.

Molecular Properties

Compound Nametris(iron(2+));hexacyanide
PubChem CID73357772
Molecular FormulaC6Fe3N6
Molecular Weight323.64 g/mol
Exact Mass323.82
IUPAC Nametris(iron(2+));hexacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/6CN.3Fe/c6*1-2;;;/q6*-1;3*+2
InChIKeyYWBREQLMDUVNIR-UHFFFAOYSA-N
XLogP0.57
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.64
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(iron(2+));hexacyanide?
The IUPAC name of tris(iron(2+));hexacyanide (CID 73357772) is tris(iron(2+));hexacyanide.
What is the SMILES notation for tris(iron(2+));hexacyanide?
The canonical SMILES for tris(iron(2+));hexacyanide is [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+2].[Fe+2].
What is the InChIKey of tris(iron(2+));hexacyanide?
The InChIKey is YWBREQLMDUVNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/6CN.3Fe/c6*1-2;;;/q6*-1;3*+2.
What are the key properties of tris(iron(2+));hexacyanide?
tris(iron(2+));hexacyanide has a molecular weight of 323.64 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(iron(2+));hexacyanide is sourced from PubChem (CID 73357772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).