cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate

C59H82B2CoF8N6O3 — CID 139180702

About cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate

cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate (PubChem CID 139180702) has the molecular formula C59H82B2CoF8N6O3 and a molecular weight of 1155.88 g/mol. Its IUPAC name is cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate.

Molecular Properties

• Compound Name: cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate
• PubChem CID: 139180702
• Molecular Formula: C59H82B2CoF8N6O3
• Molecular Weight: 1155.88 g/mol
• Exact Mass: 1155.58
• IUPAC Name: cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate
• SMILES: CCCCCCCCCCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CCCCCCCCCCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CO.F[B-](F)(F)F.F[B-](F)(F)F.[Co+2]
• InChI: InChI=1S/2C29H39N3O.CH4O.2BF4.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-22-33-25-23-28(26-18-13-15-20-30-26)32-29(24-25)27-19-14-16-21-31-27;1-2;2*2-1(3,4)5;/h2*13-16,18-21,23-24H,2-12,17,22H2,1H3;2H,1H3;;;/q;;;2*-1;+2
• InChIKey: OFXRTVBDWAITMG-UHFFFAOYSA-N
• XLogP: 18.78
• TPSA: 116.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 32
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.88
LogP ≤ 5	18.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate (CID 139180702) is cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate.

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

The canonical SMILES for cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate is CCCCCCCCCCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CCCCCCCCCCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CO.F[B-](F)(F)F.F[B-](F)(F)F.[Co+2].

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

The InChIKey is OFXRTVBDWAITMG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H39N3O.CH4O.2BF4.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-22-33-25-23-28(26-18-13-15-20-30-26)32-29(24-25)27-19-14-16-21-31-27;1-2;2*2-1(3,4)5;/h2*13-16,18-21,23-24H,2-12,17,22H2,1H3;2H,1H3;;;/q;;;2*-1;+2.

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

cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate has a molecular weight of 1155.88 g/mol, XLogP of 18.78, 32 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate is sourced from PubChem (CID 139180702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).