tribismuth;tris(niobium(5+));octaphosphate

Bi3Nb3O32P8 — CID 173131355

IUPACtribismuth;tris(niobium(5+));octaphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Bi+3].[Bi+3].[Bi+3].[Nb+5].[Nb+5].[Nb+5]
InChIInChI=1S/3Bi.3Nb.8H3O4P/c;;;;;;8*1-5(2,3)4/h;;;;;;8*(H3,1,2,3,4)/q3*+3;3*+5;;;;;;;;/p-24
InChIKeyRTOVYVOYURJBNN-UHFFFAOYSA-A
MW1665.42 g/mol
LogP-23.75
Rot. Bonds

About tribismuth;tris(niobium(5+));octaphosphate

tribismuth;tris(niobium(5+));octaphosphate (PubChem CID 173131355) has the molecular formula Bi3Nb3O32P8 and a molecular weight of 1665.42 g/mol. Its IUPAC name is tribismuth;tris(niobium(5+));octaphosphate.

Molecular Properties

Compound Nametribismuth;tris(niobium(5+));octaphosphate
PubChem CID173131355
Molecular FormulaBi3Nb3O32P8
Molecular Weight1665.42 g/mol
Exact Mass1665.29
IUPAC Nametribismuth;tris(niobium(5+));octaphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Bi+3].[Bi+3].[Bi+3].[Nb+5].[Nb+5].[Nb+5]
InChIInChI=1S/3Bi.3Nb.8H3O4P/c;;;;;;8*1-5(2,3)4/h;;;;;;8*(H3,1,2,3,4)/q3*+3;3*+5;;;;;;;;/p-24
InChIKeyRTOVYVOYURJBNN-UHFFFAOYSA-A
XLogP-23.75
TPSA690.00 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001665.42
LogP ≤ 5-23.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tribismuth;tris(niobium(5+));octaphosphate?
The IUPAC name of tribismuth;tris(niobium(5+));octaphosphate (CID 173131355) is tribismuth;tris(niobium(5+));octaphosphate.
What is the SMILES notation for tribismuth;tris(niobium(5+));octaphosphate?
The canonical SMILES for tribismuth;tris(niobium(5+));octaphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Bi+3].[Bi+3].[Bi+3].[Nb+5].[Nb+5].[Nb+5].
What is the InChIKey of tribismuth;tris(niobium(5+));octaphosphate?
The InChIKey is RTOVYVOYURJBNN-UHFFFAOYSA-A. The full InChI is InChI=1S/3Bi.3Nb.8H3O4P/c;;;;;;8*1-5(2,3)4/h;;;;;;8*(H3,1,2,3,4)/q3*+3;3*+5;;;;;;;;/p-24.
What are the key properties of tribismuth;tris(niobium(5+));octaphosphate?
tribismuth;tris(niobium(5+));octaphosphate has a molecular weight of 1665.42 g/mol, XLogP of -23.75, 0 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tribismuth;tris(niobium(5+));octaphosphate is sourced from PubChem (CID 173131355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).