cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate

C24H16CoN10Se2 — CID 139125085

About cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate

cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate (PubChem CID 139125085) has the molecular formula C24H16CoN10Se2 and a molecular weight of 661.32 g/mol. Its IUPAC name is cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate.

Molecular Properties

• Compound Name: cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate
• PubChem CID: 139125085
• Molecular Formula: C24H16CoN10Se2
• Molecular Weight: 661.32 g/mol
• Exact Mass: 662.92
• IUPAC Name: cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate
• SMILES: N#C[Se-].N#C[Se-].[Co+2].c1ccc(-c2n[n-][n+]3ccccc23)nc1.c1ccc(-c2n[n-][n+]3ccccc23)nc1
• InChI: InChI=1S/2C11H8N4.2CHNSe.Co/c2*1-3-7-12-9(5-1)11-10-6-2-4-8-15(10)14-13-11;2*2-1-3;/h2*1-8H;2*3H;/q;;;;+2/p-2
• InChIKey: TVCDCYABXYZZIR-UHFFFAOYSA-L
• XLogP: 0.95
• TPSA: 135.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	661.32
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate?

The IUPAC name of cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate (CID 139125085) is cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate.

What is the SMILES notation for cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate?

The canonical SMILES for cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate is N#C[Se-].N#C[Se-].[Co+2].c1ccc(-c2n[n-][n+]3ccccc23)nc1.c1ccc(-c2n[n-][n+]3ccccc23)nc1.

What is the InChIKey of cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate?

The InChIKey is TVCDCYABXYZZIR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H8N4.2CHNSe.Co/c2*1-3-7-12-9(5-1)11-10-6-2-4-8-15(10)14-13-11;2*2-1-3;/h2*1-8H;2*3H;/q;;;;+2/p-2.

What are the key properties of cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate?

cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate has a molecular weight of 661.32 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate is sourced from PubChem (CID 139125085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).