octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate

C60H52Cl4Co2N18O16 — CID 139152744

About octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate

octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate (PubChem CID 139152744) has the molecular formula C60H52Cl4Co2N18O16 and a molecular weight of 1540.86 g/mol. Its IUPAC name is octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate.

Molecular Properties

• Compound Name: octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate
• PubChem CID: 139152744
• Molecular Formula: C60H52Cl4Co2N18O16
• Molecular Weight: 1540.86 g/mol
• Exact Mass: 1538.12
• IUPAC Name: octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate
• SMILES: CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccn5)n4)c(-c4cccc(-c5ccccn5)n4)nc3-c3cccc(-c4ccccn4)n3)n2)nc1
• InChI: InChI=1S/C44H28N10.8C2H3N.4ClHO4.2Co/c1-5-25-45-29(13-1)33-17-9-21-37(49-33)41-42(38-22-10-18-34(50-38)30-14-2-6-26-46-30)54-44(40-24-12-20-36(52-40)32-16-4-8-28-48-32)43(53-41)39-23-11-19-35(51-39)31-15-3-7-27-47-31;8*1-2-3;4*2-1(3,4)5;;/h1-28H;8*1H3;4*(H,2,3,4,5);;/q;;;;;;;;;;;;;2*+2/p-4
• InChIKey: HCWBXAWXRHMJJD-UHFFFAOYSA-J
• XLogP: -5.82
• TPSA: 688.18 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 8
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1540.86
LogP ≤ 5	-5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate?

The IUPAC name of octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate (CID 139152744) is octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate.

What is the SMILES notation for octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate?

The canonical SMILES for octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate is CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccn5)n4)c(-c4cccc(-c5ccccn5)n4)nc3-c3cccc(-c4ccccn4)n3)n2)nc1.

What is the InChIKey of octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate?

The InChIKey is HCWBXAWXRHMJJD-UHFFFAOYSA-J. The full InChI is InChI=1S/C44H28N10.8C2H3N.4ClHO4.2Co/c1-5-25-45-29(13-1)33-17-9-21-37(49-33)41-42(38-22-10-18-34(50-38)30-14-2-6-26-46-30)54-44(40-24-12-20-36(52-40)32-16-4-8-28-48-32)43(53-41)39-23-11-19-35(51-39)31-15-3-7-27-47-31;8*1-2-3;4*2-1(3,4)5;;/h1-28H;8*1H3;4*(H,2,3,4,5);;/q;;;;;;;;;;;;;2*+2/p-4.

What are the key properties of octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate?

octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate has a molecular weight of 1540.86 g/mol, XLogP of -5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for octakis(acetonitrile);bis(cobalt(2+));2,3,5,6-tetrakis(6-pyridin-2-yl-2-pyridinyl)pyrazine;tetraperchlorate is sourced from PubChem (CID 139152744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).