tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+)

C36H27Cl3CoN3O6 — CID 24860049

IUPACtris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+)
SMILES[Co+3].[O-]c1ccc(Cl)cc1/C=N/Cc1ccco1.[O-]c1ccc(Cl)cc1/C=N/Cc1ccco1.[O-]c1ccc(Cl)cc1/C=N/Cc1ccco1
InChIInChI=1S/3C12H10ClNO2.Co/c3*13-10-3-4-12(15)9(6-10)7-14-8-11-2-1-5-16-11;/h3*1-7,15H,8H2;/q;;;+3/p-3/b3*14-7+;
InChIKeyONZDLVUFVMUEKD-GHPPNSKMSA-K
MW762.92 g/mol
LogP7.87
Rot. Bonds9

About tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+)

tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+) (PubChem CID 24860049) has the molecular formula C36H27Cl3CoN3O6 and a molecular weight of 762.92 g/mol. Its IUPAC name is tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+).

Molecular Properties

Compound Nametris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+)
PubChem CID24860049
Molecular FormulaC36H27Cl3CoN3O6
Molecular Weight762.92 g/mol
Exact Mass761.03
IUPAC Nametris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+)
SMILES[Co+3].[O-]c1ccc(Cl)cc1/C=N/Cc1ccco1.[O-]c1ccc(Cl)cc1/C=N/Cc1ccco1.[O-]c1ccc(Cl)cc1/C=N/Cc1ccco1
InChIInChI=1S/3C12H10ClNO2.Co/c3*13-10-3-4-12(15)9(6-10)7-14-8-11-2-1-5-16-11;/h3*1-7,15H,8H2;/q;;;+3/p-3/b3*14-7+;
InChIKeyONZDLVUFVMUEKD-GHPPNSKMSA-K
XLogP7.87
TPSA145.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.92
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+)?
The IUPAC name of tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+) (CID 24860049) is tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+).
What is the SMILES notation for tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+)?
The canonical SMILES for tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+) is [Co+3].[O-]c1ccc(Cl)cc1/C=N/Cc1ccco1.[O-]c1ccc(Cl)cc1/C=N/Cc1ccco1.[O-]c1ccc(Cl)cc1/C=N/Cc1ccco1.
What is the InChIKey of tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+)?
The InChIKey is ONZDLVUFVMUEKD-GHPPNSKMSA-K. The full InChI is InChI=1S/3C12H10ClNO2.Co/c3*13-10-3-4-12(15)9(6-10)7-14-8-11-2-1-5-16-11;/h3*1-7,15H,8H2;/q;;;+3/p-3/b3*14-7+;.
What are the key properties of tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+)?
tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+) has a molecular weight of 762.92 g/mol, XLogP of 7.87, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-chloro-2-(furan-2-ylmethyliminomethyl)phenolate);cobalt(3+) is sourced from PubChem (CID 24860049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).