tris(lead(2+));bis(oxygen(2-));phthalate

C8H4O6Pb3 — CID 90659577

IUPACtris(lead(2+));bis(oxygen(2-));phthalate
SMILESO=C([O-])c1ccccc1C(=O)[O-].[O-2].[O-2].[Pb+2].[Pb+2].[Pb+2]
InChIInChI=1S/C8H6O4.2O.3Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;/q;2*-2;3*+2/p-2
InChIKeyLCMZLEGVLPHFGA-UHFFFAOYSA-L
MW817.71 g/mol
LogP-2.97
Rot. Bonds2

About tris(lead(2+));bis(oxygen(2-));phthalate

tris(lead(2+));bis(oxygen(2-));phthalate (PubChem CID 90659577) has the molecular formula C8H4O6Pb3 and a molecular weight of 817.71 g/mol. Its IUPAC name is tris(lead(2+));bis(oxygen(2-));phthalate.

Molecular Properties

Compound Nametris(lead(2+));bis(oxygen(2-));phthalate
PubChem CID90659577
Molecular FormulaC8H4O6Pb3
Molecular Weight817.71 g/mol
Exact Mass819.93
IUPAC Nametris(lead(2+));bis(oxygen(2-));phthalate
SMILESO=C([O-])c1ccccc1C(=O)[O-].[O-2].[O-2].[Pb+2].[Pb+2].[Pb+2]
InChIInChI=1S/C8H6O4.2O.3Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;/q;2*-2;3*+2/p-2
InChIKeyLCMZLEGVLPHFGA-UHFFFAOYSA-L
XLogP-2.97
TPSA137.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500817.71
LogP ≤ 5-2.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tris(lead(2+));bis(oxygen(2-));phthalate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(lead(2+));bis(oxygen(2-));phthalate?
The IUPAC name of tris(lead(2+));bis(oxygen(2-));phthalate (CID 90659577) is tris(lead(2+));bis(oxygen(2-));phthalate.
What is the SMILES notation for tris(lead(2+));bis(oxygen(2-));phthalate?
The canonical SMILES for tris(lead(2+));bis(oxygen(2-));phthalate is O=C([O-])c1ccccc1C(=O)[O-].[O-2].[O-2].[Pb+2].[Pb+2].[Pb+2].
What is the InChIKey of tris(lead(2+));bis(oxygen(2-));phthalate?
The InChIKey is LCMZLEGVLPHFGA-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O4.2O.3Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;/q;2*-2;3*+2/p-2.
What are the key properties of tris(lead(2+));bis(oxygen(2-));phthalate?
tris(lead(2+));bis(oxygen(2-));phthalate has a molecular weight of 817.71 g/mol, XLogP of -2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(lead(2+));bis(oxygen(2-));phthalate is sourced from PubChem (CID 90659577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).