bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide

C45H35Cl4Co2F18N10O2P3 — CID 139042797

About bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide

bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide (PubChem CID 139042797) has the molecular formula C45H35Cl4Co2F18N10O2P3 and a molecular weight of 1442.41 g/mol. Its IUPAC name is bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide.

Molecular Properties

• Compound Name: bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide
• PubChem CID: 139042797
• Molecular Formula: C45H35Cl4Co2F18N10O2P3
• Molecular Weight: 1442.41 g/mol
• Exact Mass: 1439.93
• IUPAC Name: bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide
• SMILES: ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3].[Co+3].[O-][O-].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/2C15H11N3.C13H9N4.2CH2Cl2.2Co.3F6P.O2/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11;2*2-1-3;;;3*1-7(2,3,4,5)6;1-2/h2*1-11H;1-9H;2*1H2;;;;;;/q;;-1;;;2*+3;3*-1;-2
• InChIKey: QNRUWIHCJOCDCE-UHFFFAOYSA-N
• XLogP: 19.18
• TPSA: 176.23 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1442.41
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide?

The IUPAC name of bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide (CID 139042797) is bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide.

What is the SMILES notation for bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide?

The canonical SMILES for bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide is ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3].[Co+3].[O-][O-].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.

What is the InChIKey of bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide?

The InChIKey is QNRUWIHCJOCDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3.C13H9N4.2CH2Cl2.2Co.3F6P.O2/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11;2*2-1-3;;;3*1-7(2,3,4,5)6;1-2/h2*1-11H;1-9H;2*1H2;;;;;;/q;;-1;;;2*+3;3*-1;-2.

What are the key properties of bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide?

bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide has a molecular weight of 1442.41 g/mol, XLogP of 19.18, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cobalt(3+));bis(dichloromethane);bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;trihexafluorophosphate;peroxide is sourced from PubChem (CID 139042797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).