cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate

C56H56Cl2CoN8O16 — CID 139202815

About cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate

cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate (PubChem CID 139202815) has the molecular formula C56H56Cl2CoN8O16 and a molecular weight of 1226.94 g/mol. Its IUPAC name is cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate.

Molecular Properties

• Compound Name: cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate
• PubChem CID: 139202815
• Molecular Formula: C56H56Cl2CoN8O16
• Molecular Weight: 1226.94 g/mol
• Exact Mass: 1225.25
• IUPAC Name: cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate
• SMILES: COc1ccc(OC)c(/C=N/c2ccccn2)c1.COc1ccc(OC)c(/C=N/c2ccccn2)c1.COc1ccc(OC)c(/C=N/c2ccccn2)c1.COc1ccc(OC)c(/C=N/c2ccccn2)c1.[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/4C14H14N2O2.2ClHO4.Co/c4*1-17-12-6-7-13(18-2)11(9-12)10-16-14-5-3-4-8-15-14;2*2-1(3,4)5;/h4*3-10H,1-2H3;2*(H,2,3,4,5);/q;;;;;;+2/p-2/b4*16-10+
• InChIKey: WDOWQXVCMNYEHM-UNESBSCPSA-L
• XLogP: 1.88
• TPSA: 359.32 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1226.94
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate?

The IUPAC name of cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate (CID 139202815) is cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate.

What is the SMILES notation for cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate?

The canonical SMILES for cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate is COc1ccc(OC)c(/C=N/c2ccccn2)c1.COc1ccc(OC)c(/C=N/c2ccccn2)c1.COc1ccc(OC)c(/C=N/c2ccccn2)c1.COc1ccc(OC)c(/C=N/c2ccccn2)c1.[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate?

The InChIKey is WDOWQXVCMNYEHM-UNESBSCPSA-L. The full InChI is InChI=1S/4C14H14N2O2.2ClHO4.Co/c4*1-17-12-6-7-13(18-2)11(9-12)10-16-14-5-3-4-8-15-14;2*2-1(3,4)5;/h4*3-10H,1-2H3;2*(H,2,3,4,5);/q;;;;;;+2/p-2/b4*16-10+;;;.

What are the key properties of cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate?

cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate has a molecular weight of 1226.94 g/mol, XLogP of 1.88, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate is sourced from PubChem (CID 139202815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).