chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate

C52H36B2Cl6CoF8N6 — CID 139173285

About chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate

chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate (PubChem CID 139173285) has the molecular formula C52H36B2Cl6CoF8N6 and a molecular weight of 1190.16 g/mol. Its IUPAC name is chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate.

Molecular Properties

• Compound Name: chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
• PubChem CID: 139173285
• Molecular Formula: C52H36B2Cl6CoF8N6
• Molecular Weight: 1190.16 g/mol
• Exact Mass: 1187.05
• IUPAC Name: chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.F[B-](F)(F)F.F[B-](F)(F)F.[Co+2].c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/2C25H17N3.2CHCl3.2BF4.Co/c2*1-2-8-19-15-20(12-11-18(19)7-1)21-16-24(22-9-3-5-13-26-22)28-25(17-21)23-10-4-6-14-27-23;2*2-1(3)4;2*2-1(3,4)5;/h2*1-17H;2*1H;;;/q;;;;2*-1;+2
• InChIKey: KMJWMRKDJBYZFB-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1190.16
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?

The IUPAC name of chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate (CID 139173285) is chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate.

What is the SMILES notation for chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?

The canonical SMILES for chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate is ClC(Cl)Cl.ClC(Cl)Cl.F[B-](F)(F)F.F[B-](F)(F)F.[Co+2].c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?

The InChIKey is KMJWMRKDJBYZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H17N3.2CHCl3.2BF4.Co/c2*1-2-8-19-15-20(12-11-18(19)7-1)21-16-24(22-9-3-5-13-26-22)28-25(17-21)23-10-4-6-14-27-23;2*2-1(3)4;2*2-1(3,4)5;/h2*1-17H;2*1H;;;/q;;;;2*-1;+2.

What are the key properties of chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?

chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate has a molecular weight of 1190.16 g/mol, XLogP of 18.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for chloroform;cobalt(2+);bis(4-naphthalen-2-yl-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate is sourced from PubChem (CID 139173285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).