iron(2+);iron(4+);hexacyanide

C6Fe2N6 — CID 20846158

IUPACiron(2+);iron(4+);hexacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+4]
InChIInChI=1S/6CN.2Fe/c6*1-2;;/q6*-1;+2;+4
InChIKeyDMQOOTKQDUEZSV-UHFFFAOYSA-N
MW267.80 g/mol
LogP0.57
Rot. Bonds

About iron(2+);iron(4+);hexacyanide

iron(2+);iron(4+);hexacyanide (PubChem CID 20846158) has the molecular formula C6Fe2N6 and a molecular weight of 267.80 g/mol. Its IUPAC name is iron(2+);iron(4+);hexacyanide.

Molecular Properties

Compound Nameiron(2+);iron(4+);hexacyanide
PubChem CID20846158
Molecular FormulaC6Fe2N6
Molecular Weight267.80 g/mol
Exact Mass267.89
IUPAC Nameiron(2+);iron(4+);hexacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+4]
InChIInChI=1S/6CN.2Fe/c6*1-2;;/q6*-1;+2;+4
InChIKeyDMQOOTKQDUEZSV-UHFFFAOYSA-N
XLogP0.57
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
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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Related Compounds

trisodium;iron(2+);pentacyanide
CID 157307614
sodium;iron(2+);tricyanide
CID 159498297
iron(2+);manganese(2+);tetracyanide
CID 163753486
tetrakis(chromium(3+));tris(iron(2+));octadecacyanide
CID 173180895
pentapotassium;iron(2+);heptacyanide
CID 173150440
bis(indium(3+));tris(iron(4+));octadecacyanide
CID 173052241
cobalt(2+);iron(4+);hexacyanide
CID 87398573
distrontium;iron(2+);hexacyanide
CID 175579115
sodium;cobalt(2+);iron(2+);pentacyanide
CID 169093006
zinc;iron(2+);manganese(2+);hexacyanide
CID 155668746
trisodium;azane;iron(2+);pentacyanide;trihydrate
CID 25016380
iron(4+);nitroxyl anion;pentacyanide
CID 140862411

Frequently Asked Questions

What is the IUPAC name of iron(2+);iron(4+);hexacyanide?
The IUPAC name of iron(2+);iron(4+);hexacyanide (CID 20846158) is iron(2+);iron(4+);hexacyanide.
What is the SMILES notation for iron(2+);iron(4+);hexacyanide?
The canonical SMILES for iron(2+);iron(4+);hexacyanide is [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+4].
What is the InChIKey of iron(2+);iron(4+);hexacyanide?
The InChIKey is DMQOOTKQDUEZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/6CN.2Fe/c6*1-2;;/q6*-1;+2;+4.
What are the key properties of iron(2+);iron(4+);hexacyanide?
iron(2+);iron(4+);hexacyanide has a molecular weight of 267.80 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 iron(2+);iron(4+);hexacyanide is sourced from PubChem (CID 20846158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).