cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate

C58H46CoF12N6OP2 — CID 139153705

About cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate

cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate (PubChem CID 139153705) has the molecular formula C58H46CoF12N6OP2 and a molecular weight of 1191.90 g/mol. Its IUPAC name is cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate.

Molecular Properties

• Compound Name: cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
• PubChem CID: 139153705
• Molecular Formula: C58H46CoF12N6OP2
• Molecular Weight: 1191.90 g/mol
• Exact Mass: 1191.23
• IUPAC Name: cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
• SMILES: C1CCOC1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].c1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1
• InChI: InChI=1S/2C27H19N3.C4H8O.Co.2F6P/c2*1-2-8-20(9-3-1)21-12-14-22(15-13-21)23-18-26(24-10-4-6-16-28-24)30-27(19-23)25-11-5-7-17-29-25;1-2-4-5-3-1;;2*1-7(2,3,4,5)6/h2*1-19H;1-4H2;;;/q;;;+2;2*-1
• InChIKey: RMXJSSNIHHQOAW-UHFFFAOYSA-N
• XLogP: 20.64
• TPSA: 86.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1191.90
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate?

The IUPAC name of cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate (CID 139153705) is cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate.

What is the SMILES notation for cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate?

The canonical SMILES for cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate is C1CCOC1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].c1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.

What is the InChIKey of cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate?

The InChIKey is RMXJSSNIHHQOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H19N3.C4H8O.Co.2F6P/c2*1-2-8-20(9-3-1)21-12-14-22(15-13-21)23-18-26(24-10-4-6-16-28-24)30-27(19-23)25-11-5-7-17-29-25;1-2-4-5-3-1;;2*1-7(2,3,4,5)6/h2*1-19H;1-4H2;;;/q;;;+2;2*-1.

What are the key properties of cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate?

cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate has a molecular weight of 1191.90 g/mol, XLogP of 20.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate is sourced from PubChem (CID 139153705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).