copper;dodecakis(formonitrile);iron

C12H12CuFe2N12 — CID 174878514

IUPACcopper;dodecakis(formonitrile);iron
SMILESC#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.[Cu].[Fe].[Fe]
InChIInChI=1S/12CHN.Cu.2Fe/c12*1-2;;;/h12*1H;;;
InChIKeyZZPOTXFMTUPSPQ-UHFFFAOYSA-N
MW499.55 g/mol
LogP1.67
Rot. Bonds

About copper;dodecakis(formonitrile);iron

copper;dodecakis(formonitrile);iron (PubChem CID 174878514) has the molecular formula C12H12CuFe2N12 and a molecular weight of 499.55 g/mol. Its IUPAC name is copper;dodecakis(formonitrile);iron.

Molecular Properties

Compound Namecopper;dodecakis(formonitrile);iron
PubChem CID174878514
Molecular FormulaC12H12CuFe2N12
Molecular Weight499.55 g/mol
Exact Mass498.93
IUPAC Namecopper;dodecakis(formonitrile);iron
SMILESC#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.[Cu].[Fe].[Fe]
InChIInChI=1S/12CHN.Cu.2Fe/c12*1-2;;;/h12*1H;;;
InChIKeyZZPOTXFMTUPSPQ-UHFFFAOYSA-N
XLogP1.67
TPSA285.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.55
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;dodecakis(formonitrile);iron?
The IUPAC name of copper;dodecakis(formonitrile);iron (CID 174878514) is copper;dodecakis(formonitrile);iron.
What is the SMILES notation for copper;dodecakis(formonitrile);iron?
The canonical SMILES for copper;dodecakis(formonitrile);iron is C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.C#N.[Cu].[Fe].[Fe].
What is the InChIKey of copper;dodecakis(formonitrile);iron?
The InChIKey is ZZPOTXFMTUPSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/12CHN.Cu.2Fe/c12*1-2;;;/h12*1H;;;.
What are the key properties of copper;dodecakis(formonitrile);iron?
copper;dodecakis(formonitrile);iron has a molecular weight of 499.55 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;dodecakis(formonitrile);iron is sourced from PubChem (CID 174878514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).