bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten

Fe2Nb16O48Pb2W-6 — CID 173327744

IUPACbis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten
SMILESO=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].[Fe+3].[Fe+3].[Pb+2].[Pb+2].[W]
InChIInChI=1S/2Fe.16Nb.48O.2Pb.W/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;16*-1;2*+2;
InChIKeyRIZXTPAVAHKNBB-UHFFFAOYSA-N
MW2964.38 g/mol
LogP-23.63
Rot. Bonds

About bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten

bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten (PubChem CID 173327744) has the molecular formula Fe2Nb16O48Pb2W-6 and a molecular weight of 2964.38 g/mol. Its IUPAC name is bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten.

Molecular Properties

Compound Namebis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten
PubChem CID173327744
Molecular FormulaFe2Nb16O48Pb2W-6
Molecular Weight2964.38 g/mol
Exact Mass2966.04
IUPAC Namebis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten
SMILESO=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].[Fe+3].[Fe+3].[Pb+2].[Pb+2].[W]
InChIInChI=1S/2Fe.16Nb.48O.2Pb.W/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;16*-1;2*+2;
InChIKeyRIZXTPAVAHKNBB-UHFFFAOYSA-N
XLogP-23.63
TPSA915.20 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002964.38
LogP ≤ 5-23.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten?
The IUPAC name of bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten (CID 173327744) is bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten.
What is the SMILES notation for bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten?
The canonical SMILES for bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten is O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].[Fe+3].[Fe+3].[Pb+2].[Pb+2].[W].
What is the InChIKey of bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten?
The InChIKey is RIZXTPAVAHKNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2Fe.16Nb.48O.2Pb.W/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;16*-1;2*+2;.
What are the key properties of bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten?
bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten has a molecular weight of 2964.38 g/mol, XLogP of -23.63, 0 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iron(3+));bis(lead(2+));hexadecakis(oxido(dioxo)niobium);tungsten is sourced from PubChem (CID 173327744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).