4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate

C67H64F12FeN8O9P2 — CID 139184907

About 4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate

4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate (PubChem CID 139184907) has the molecular formula C67H64F12FeN8O9P2 and a molecular weight of 1471.06 g/mol. Its IUPAC name is 4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate.

Molecular Properties

• Compound Name: 4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate
• PubChem CID: 139184907
• Molecular Formula: C67H64F12FeN8O9P2
• Molecular Weight: 1471.06 g/mol
• Exact Mass: 1470.34
• IUPAC Name: 4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate
• SMILES: CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].c1ccc(-c2cc(OCCOCCOCCOc3cccc(-c4ccc(-c5ccc(-c6cccc(OCCOCCOCCOc7cc(-c8ccccn8)nc(-c8ccccn8)c7)c6)cn5)nc4)c3)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C64H58N8O8.C3H6O.2F6P.Fe/c1-5-23-65-55(15-1)61-41-53(42-62(71-61)56-16-2-6-24-66-56)79-37-33-75-29-27-73-31-35-77-51-13-9-11-47(39-51)49-19-21-59(69-45-49)60-22-20-50(46-70-60)48-12-10-14-52(40-48)78-36-32-74-28-30-76-34-38-80-54-43-63(57-17-3-7-25-67-57)72-64(44-54)58-18-4-8-26-68-58;1-3(2)4;2*1-7(2,3,4,5)6;/h1-26,39-46H,27-38H2;1-2H3;;;/q;;2*-1;+2
• InChIKey: QDCYRUZELVBSGT-UHFFFAOYSA-N
• XLogP: 18.86
• TPSA: 194.03 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 29
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1471.06
LogP ≤ 5	18.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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 4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate?

The IUPAC name of 4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate (CID 139184907) is 4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate.

What is the SMILES notation for 4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate?

The canonical SMILES for 4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate is CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].c1ccc(-c2cc(OCCOCCOCCOc3cccc(-c4ccc(-c5ccc(-c6cccc(OCCOCCOCCOc7cc(-c8ccccn8)nc(-c8ccccn8)c7)c6)cn5)nc4)c3)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of 4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate?

The InChIKey is QDCYRUZELVBSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H58N8O8.C3H6O.2F6P.Fe/c1-5-23-65-55(15-1)61-41-53(42-62(71-61)56-16-2-6-24-66-56)79-37-33-75-29-27-73-31-35-77-51-13-9-11-47(39-51)49-19-21-59(69-45-49)60-22-20-50(46-70-60)48-12-10-14-52(40-48)78-36-32-74-28-30-76-34-38-80-54-43-63(57-17-3-7-25-67-57)72-64(44-54)58-18-4-8-26-68-58;1-3(2)4;2*1-7(2,3,4,5)6;/h1-26,39-46H,27-38H2;1-2H3;;;/q;;2*-1;+2.

What are the key properties of 4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate?

4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate has a molecular weight of 1471.06 g/mol, XLogP of 18.86, 29 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-[3-[6-[5-[3-[2-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]phenyl]-2-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine;iron(2+);propan-2-one;dihexafluorophosphate is sourced from PubChem (CID 139184907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).