Oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)

C₄₄H₃₆N₈O₉V₂-6 — CID 139115089

About Oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)

Oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium) (PubChem CID 139115089) has the molecular formula C₄₄H₃₆N₈O₉V₂-6 and a molecular weight of 922.71 g/mol. Its IUPAC name is oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium).

Molecular Properties

• Compound Name: Oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)
• PubChem CID: 139115089
• Molecular Formula: C₄₄H₃₆N₈O₉V₂-6
• Molecular Weight: 922.71 g/mol
• Exact Mass: 922.15
• IUPAC Name: oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)
• SMILES: O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[O-2].[V].[V].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/2C7H5NO4.6C5H5N.O.2V/c2*9-6(10)4-2-1-3-5(8-4)7(11)12;6*1-2-4-6-5-3-1;;;/h2*1-3H,(H,9,10)(H,11,12);6*1-5H;;;/q;;;;;;;;-2;;/p-4
• InChIKey: FMXHKBWSHIHGFF-UHFFFAOYSA-J
• XLogP: 1.98
• TPSA: 292.14 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.71
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of Oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)?

The IUPAC name of Oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium) (CID 139115089) is oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium).

What is the SMILES notation for Oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)?

The canonical SMILES for Oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium) is O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[O-2].[V].[V].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.

What is the InChIKey of Oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)?

The InChIKey is FMXHKBWSHIHGFF-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H5NO4.6C5H5N.O.2V/c2*9-6(10)4-2-1-3-5(8-4)7(11)12;6*1-2-4-6-5-3-1;;;/h2*1-3H,(H,9,10)(H,11,12);6*1-5H;;;/q;;;;;;;;-2;;/p-4.

What are the key properties of Oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)?

Oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium) has a molecular weight of 922.71 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for Oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium) is sourced from PubChem (CID 139115089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139115089 — identifiers, structure, computed properties (public domain)

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