bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate

C68H58Co2F24N14O4P4 — CID 139184777

About bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate

bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate (PubChem CID 139184777) has the molecular formula C68H58Co2F24N14O4P4 and a molecular weight of 1833.02 g/mol. Its IUPAC name is bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate.

Molecular Properties

• Compound Name: bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate
• PubChem CID: 139184777
• Molecular Formula: C68H58Co2F24N14O4P4
• Molecular Weight: 1833.02 g/mol
• Exact Mass: 1832.20
• IUPAC Name: bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate
• SMILES: CC#N.CC#N.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2]
• InChI: InChI=1S/4C16H13N3O.2C2H3N.2Co.4F6P/c4*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;2*1-2-3;;;4*1-7(2,3,4,5)6/h4*2-11H,1H3;2*1H3;;;;;;/q;;;;;;2*+2;4*-1
• InChIKey: OZZNIXVDRFXRFG-UHFFFAOYSA-N
• XLogP: 27.44
• TPSA: 239.18 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1833.02
LogP ≤ 5	27.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate?

The IUPAC name of bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate (CID 139184777) is bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate.

What is the SMILES notation for bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate?

The canonical SMILES for bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate is CC#N.CC#N.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].

What is the InChIKey of bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate?

The InChIKey is OZZNIXVDRFXRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H13N3O.2C2H3N.2Co.4F6P/c4*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;2*1-2-3;;;4*1-7(2,3,4,5)6/h4*2-11H,1H3;2*1H3;;;;;;/q;;;;;;2*+2;4*-1.

What are the key properties of bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate?

bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate has a molecular weight of 1833.02 g/mol, XLogP of 27.44, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate is sourced from PubChem (CID 139184777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).