cobalt(3+);tris(copper(1+));hexacyanide

C6CoCu3N6 — CID 22460176

IUPACcobalt(3+);tris(copper(1+));hexacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Co+3].[Cu+].[Cu+].[Cu+]
InChIInChI=1S/6CN.Co.3Cu/c6*1-2;;;;/q6*-1;+3;3*+1
InChIKeyMVDMLYJOLKDMMD-UHFFFAOYSA-N
MW405.68 g/mol
LogP0.57
Rot. Bonds

About cobalt(3+);tris(copper(1+));hexacyanide

cobalt(3+);tris(copper(1+));hexacyanide (PubChem CID 22460176) has the molecular formula C6CoCu3N6 and a molecular weight of 405.68 g/mol. Its IUPAC name is cobalt(3+);tris(copper(1+));hexacyanide.

Molecular Properties

Compound Namecobalt(3+);tris(copper(1+));hexacyanide
PubChem CID22460176
Molecular FormulaC6CoCu3N6
Molecular Weight405.68 g/mol
Exact Mass403.74
IUPAC Namecobalt(3+);tris(copper(1+));hexacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Co+3].[Cu+].[Cu+].[Cu+]
InChIInChI=1S/6CN.Co.3Cu/c6*1-2;;;;/q6*-1;+3;3*+1
InChIKeyMVDMLYJOLKDMMD-UHFFFAOYSA-N
XLogP0.57
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.68
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(copper(1+));hexacyanide?
The IUPAC name of cobalt(3+);tris(copper(1+));hexacyanide (CID 22460176) is cobalt(3+);tris(copper(1+));hexacyanide.
What is the SMILES notation for cobalt(3+);tris(copper(1+));hexacyanide?
The canonical SMILES for cobalt(3+);tris(copper(1+));hexacyanide is [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Co+3].[Cu+].[Cu+].[Cu+].
What is the InChIKey of cobalt(3+);tris(copper(1+));hexacyanide?
The InChIKey is MVDMLYJOLKDMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/6CN.Co.3Cu/c6*1-2;;;;/q6*-1;+3;3*+1.
What are the key properties of cobalt(3+);tris(copper(1+));hexacyanide?
cobalt(3+);tris(copper(1+));hexacyanide has a molecular weight of 405.68 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 cobalt(3+);tris(copper(1+));hexacyanide is sourced from PubChem (CID 22460176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).