trizinc;tris(lead(2+));tetraborate

B4O12Pb3Zn3 — CID 173100752

IUPACtrizinc;tris(lead(2+));tetraborate
SMILES[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[Pb+2].[Pb+2].[Pb+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/4BO3.3Pb.3Zn/c4*2-1(3)4;;;;;;/q4*-3;6*+2
InChIKeyVQZRVGXFDDXDJM-UHFFFAOYSA-N
MW1053.01 g/mol
LogP-16.94
Rot. Bonds

About trizinc;tris(lead(2+));tetraborate

trizinc;tris(lead(2+));tetraborate (PubChem CID 173100752) has the molecular formula B4O12Pb3Zn3 and a molecular weight of 1053.01 g/mol. Its IUPAC name is trizinc;tris(lead(2+));tetraborate.

Molecular Properties

Compound Nametrizinc;tris(lead(2+));tetraborate
PubChem CID173100752
Molecular FormulaB4O12Pb3Zn3
Molecular Weight1053.01 g/mol
Exact Mass1051.69
IUPAC Nametrizinc;tris(lead(2+));tetraborate
SMILES[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[Pb+2].[Pb+2].[Pb+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/4BO3.3Pb.3Zn/c4*2-1(3)4;;;;;;/q4*-3;6*+2
InChIKeyVQZRVGXFDDXDJM-UHFFFAOYSA-N
XLogP-16.94
TPSA276.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.01
LogP ≤ 5-16.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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tetrakis(ytterbium(3+));tetraborate
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Frequently Asked Questions

What is the IUPAC name of trizinc;tris(lead(2+));tetraborate?
The IUPAC name of trizinc;tris(lead(2+));tetraborate (CID 173100752) is trizinc;tris(lead(2+));tetraborate.
What is the SMILES notation for trizinc;tris(lead(2+));tetraborate?
The canonical SMILES for trizinc;tris(lead(2+));tetraborate is [O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[Pb+2].[Pb+2].[Pb+2].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trizinc;tris(lead(2+));tetraborate?
The InChIKey is VQZRVGXFDDXDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/4BO3.3Pb.3Zn/c4*2-1(3)4;;;;;;/q4*-3;6*+2.
What are the key properties of trizinc;tris(lead(2+));tetraborate?
trizinc;tris(lead(2+));tetraborate has a molecular weight of 1053.01 g/mol, XLogP of -16.94, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;tris(lead(2+));tetraborate is sourced from PubChem (CID 173100752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).