bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate

C112H92F24Fe2N12O8P4 — CID 139152440

About bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate

bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate (PubChem CID 139152440) has the molecular formula C112H92F24Fe2N12O8P4 and a molecular weight of 2425.58 g/mol. Its IUPAC name is bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate.

Molecular Properties

• Compound Name: bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate
• PubChem CID: 139152440
• Molecular Formula: C112H92F24Fe2N12O8P4
• Molecular Weight: 2425.58 g/mol
• Exact Mass: 2424.44
• IUPAC Name: bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate
• SMILES: 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.[Fe+2].[Fe+2].c1ccc(-c2cc(OCCOCc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(OCCOCc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(OCCOCc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(OCCOCc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/4C28H23N3O2.4F6P.2Fe/c4*1-2-8-23-17-21(11-12-22(23)7-1)20-32-15-16-33-24-18-27(25-9-3-5-13-29-25)31-28(19-24)26-10-4-6-14-30-26;4*1-7(2,3,4,5)6;;/h4*1-14,17-19H,15-16,20H2;;;;;;/q;;;;4*-1;2*+2
• InChIKey: JJADYDFSTVLSEV-UHFFFAOYSA-N
• XLogP: 37.34
• TPSA: 228.52 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2425.58
LogP ≤ 5	37.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate?

The IUPAC name of bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate (CID 139152440) is bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate.

What is the SMILES notation for bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate?

The canonical SMILES for bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate is 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.[Fe+2].[Fe+2].c1ccc(-c2cc(OCCOCc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(OCCOCc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(OCCOCc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(OCCOCc3ccc4ccccc4c3)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate?

The InChIKey is JJADYDFSTVLSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C28H23N3O2.4F6P.2Fe/c4*1-2-8-23-17-21(11-12-22(23)7-1)20-32-15-16-33-24-18-27(25-9-3-5-13-29-25)31-28(19-24)26-10-4-6-14-30-26;4*1-7(2,3,4,5)6;;/h4*1-14,17-19H,15-16,20H2;;;;;;/q;;;;4*-1;2*+2.

What are the key properties of bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate?

bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate has a molecular weight of 2425.58 g/mol, XLogP of 37.34, 32 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(iron(2+));tetrakis(4-[2-(naphthalen-2-ylmethoxy)ethoxy]-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate is sourced from PubChem (CID 139152440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).