bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate

C78H68Cl4Co2N14O18 — CID 139161474

About bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate

bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate (PubChem CID 139161474) has the molecular formula C78H68Cl4Co2N14O18 and a molecular weight of 1749.16 g/mol. Its IUPAC name is bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate.

Molecular Properties

• Compound Name: bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate
• PubChem CID: 139161474
• Molecular Formula: C78H68Cl4Co2N14O18
• Molecular Weight: 1749.16 g/mol
• Exact Mass: 1746.23
• IUPAC Name: bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate
• SMILES: C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.CC#N.CC#N.CCOCC.CCOCC.[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-]
• InChI: InChI=1S/3C22H14N4.2C4H10O.2C2H3N.4ClHO4.2Co/c3*1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20;2*1-3-5-4-2;2*1-2-3;4*2-1(3,4)5;;/h3*1-12,15-16H;2*3-4H2,1-2H3;2*1H3;4*(H,2,3,4,5);;/q;;;;;;;;;;;2*+2/p-4
• InChIKey: WVJXKLZXHHGXSJ-UHFFFAOYSA-J
• XLogP: -3.88
• TPSA: 589.68 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 10
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1749.16
LogP ≤ 5	-3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate?

The IUPAC name of bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate (CID 139161474) is bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate.

What is the SMILES notation for bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate?

The canonical SMILES for bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate is C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.CC#N.CC#N.CCOCC.CCOCC.[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-].

What is the InChIKey of bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate?

The InChIKey is WVJXKLZXHHGXSJ-UHFFFAOYSA-J. The full InChI is InChI=1S/3C22H14N4.2C4H10O.2C2H3N.4ClHO4.2Co/c3*1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20;2*1-3-5-4-2;2*1-2-3;4*2-1(3,4)5;;/h3*1-12,15-16H;2*3-4H2,1-2H3;2*1H3;4*(H,2,3,4,5);;/q;;;;;;;;;;;2*+2/p-4.

What are the key properties of bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate?

bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate has a molecular weight of 1749.16 g/mol, XLogP of -3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acetonitrile);bis(cobalt(2+));ethoxyethane;tris(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate is sourced from PubChem (CID 139161474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).