cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride

C44H28Cl2CoN8 — CID 139077736

About cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride

cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride (PubChem CID 139077736) has the molecular formula C44H28Cl2CoN8 and a molecular weight of 798.60 g/mol. Its IUPAC name is cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride.

Molecular Properties

• Compound Name: cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride
• PubChem CID: 139077736
• Molecular Formula: C44H28Cl2CoN8
• Molecular Weight: 798.60 g/mol
• Exact Mass: 797.11
• IUPAC Name: cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride
• SMILES: N#Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.N#Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-].[Cl-].[Co+2]
• InChI: InChI=1S/2C22H14N4.2ClH.Co/c2*23-15-16-7-9-17(10-8-16)18-13-21(19-5-1-3-11-24-19)26-22(14-18)20-6-2-4-12-25-20;;;/h2*1-14H;2*1H;/q;;;;+2/p-2
• InChIKey: XDXHOFAVZJHSNL-UHFFFAOYSA-L
• XLogP: 3.49
• TPSA: 124.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	798.60
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride?

The IUPAC name of cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride (CID 139077736) is cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride.

What is the SMILES notation for cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride?

The canonical SMILES for cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride is N#Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.N#Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-].[Cl-].[Co+2].

What is the InChIKey of cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride?

The InChIKey is XDXHOFAVZJHSNL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H14N4.2ClH.Co/c2*23-15-16-7-9-17(10-8-16)18-13-21(19-5-1-3-11-24-19)26-22(14-18)20-6-2-4-12-25-20;;;/h2*1-14H;2*1H;/q;;;;+2/p-2.

What are the key properties of cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride?

cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride has a molecular weight of 798.60 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzonitrile);dichloride is sourced from PubChem (CID 139077736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).