cobalt(3+);tris(N-phenylpyridine-2-carboximidate)

C36H27CoN6O3 — CID 15977349

IUPACcobalt(3+);tris(N-phenylpyridine-2-carboximidate)
SMILES[Co+3].[O-]/C(=N/c1ccccc1)c1ccccn1.[O-]/C(=N/c1ccccc1)c1ccccn1.[O-]/C(=N\c1ccccc1)c1ccccn1
InChIInChI=1S/3C12H10N2O.Co/c3*15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10;/h3*1-9H,(H,14,15);/q;;;+3/p-3
InChIKeyDMHQPAIAHWJJNP-UHFFFAOYSA-K
MW650.58 g/mol
LogP4.56
Rot. Bonds6

About cobalt(3+);tris(N-phenylpyridine-2-carboximidate)

cobalt(3+);tris(N-phenylpyridine-2-carboximidate) (PubChem CID 15977349) has the molecular formula C36H27CoN6O3 and a molecular weight of 650.58 g/mol. Its IUPAC name is cobalt(3+);tris(N-phenylpyridine-2-carboximidate).

Molecular Properties

Compound Namecobalt(3+);tris(N-phenylpyridine-2-carboximidate)
PubChem CID15977349
Molecular FormulaC36H27CoN6O3
Molecular Weight650.58 g/mol
Exact Mass650.15
IUPAC Namecobalt(3+);tris(N-phenylpyridine-2-carboximidate)
SMILES[Co+3].[O-]/C(=N/c1ccccc1)c1ccccn1.[O-]/C(=N/c1ccccc1)c1ccccn1.[O-]/C(=N\c1ccccc1)c1ccccn1
InChIInChI=1S/3C12H10N2O.Co/c3*15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10;/h3*1-9H,(H,14,15);/q;;;+3/p-3
InChIKeyDMHQPAIAHWJJNP-UHFFFAOYSA-K
XLogP4.56
TPSA144.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(N-phenylpyridine-2-carboximidate)?
The IUPAC name of cobalt(3+);tris(N-phenylpyridine-2-carboximidate) (CID 15977349) is cobalt(3+);tris(N-phenylpyridine-2-carboximidate).
What is the SMILES notation for cobalt(3+);tris(N-phenylpyridine-2-carboximidate)?
The canonical SMILES for cobalt(3+);tris(N-phenylpyridine-2-carboximidate) is [Co+3].[O-]/C(=N/c1ccccc1)c1ccccn1.[O-]/C(=N/c1ccccc1)c1ccccn1.[O-]/C(=N\c1ccccc1)c1ccccn1.
What is the InChIKey of cobalt(3+);tris(N-phenylpyridine-2-carboximidate)?
The InChIKey is DMHQPAIAHWJJNP-UHFFFAOYSA-K. The full InChI is InChI=1S/3C12H10N2O.Co/c3*15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10;/h3*1-9H,(H,14,15);/q;;;+3/p-3.
What are the key properties of cobalt(3+);tris(N-phenylpyridine-2-carboximidate)?
cobalt(3+);tris(N-phenylpyridine-2-carboximidate) has a molecular weight of 650.58 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris(N-phenylpyridine-2-carboximidate) is sourced from PubChem (CID 15977349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).