pentakis(lead(2+));phthalate

C80H40O40Pb5-10 — CID 173427098

IUPACpentakis(lead(2+));phthalate
SMILESO=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].[Pb+2].[Pb+2].[Pb+2].[Pb+2].[Pb+2]
InChIInChI=1S/10C8H6O4.5Pb/c10*9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h10*1-4H,(H,9,10)(H,11,12);;;;;/q;;;;;;;;;;5*+2/p-20
InChIKeyOCNSWSWXILVBJK-UHFFFAOYSA-A
MW2677.16 g/mol
LogP-17.77
Rot. Bonds20

About pentakis(lead(2+));phthalate

pentakis(lead(2+));phthalate (PubChem CID 173427098) has the molecular formula C80H40O40Pb5-10 and a molecular weight of 2677.16 g/mol. Its IUPAC name is pentakis(lead(2+));phthalate.

Molecular Properties

Compound Namepentakis(lead(2+));phthalate
PubChem CID173427098
Molecular FormulaC80H40O40Pb5-10
Molecular Weight2677.16 g/mol
Exact Mass2680.00
IUPAC Namepentakis(lead(2+));phthalate
SMILESO=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].[Pb+2].[Pb+2].[Pb+2].[Pb+2].[Pb+2]
InChIInChI=1S/10C8H6O4.5Pb/c10*9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h10*1-4H,(H,9,10)(H,11,12);;;;;/q;;;;;;;;;;5*+2/p-20
InChIKeyOCNSWSWXILVBJK-UHFFFAOYSA-A
XLogP-17.77
TPSA802.60 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002677.16
LogP ≤ 5-17.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze pentakis(lead(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

Related Compounds

lead(2+) dihydride;phthalate
CID 155293254
bis(lead(2+));phthalate;dihydroxide
CID 102446618
trimagnesium;phthalate
CID 142758668
disilver;phthalate
CID 21449237
nickel(2+);phthalate
CID 15798393
disodium;hydron;phthalate
CID 23089010
strontium;barium(2+);phthalate;zirconium(4+)
CID 174634619
dibismuth;phthalate;urea
CID 161346860
2-carboxybenzoate;rubidium(1+)
CID 23665340
2-carboxybenzoate;thallium(1+)
CID 101403196
2-carbamoylbenzoate
CID 3373391
lithium 2-carboxybenzoate
CID 67386197

Frequently Asked Questions

What is the IUPAC name of pentakis(lead(2+));phthalate?
The IUPAC name of pentakis(lead(2+));phthalate (CID 173427098) is pentakis(lead(2+));phthalate.
What is the SMILES notation for pentakis(lead(2+));phthalate?
The canonical SMILES for pentakis(lead(2+));phthalate is O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].[Pb+2].[Pb+2].[Pb+2].[Pb+2].[Pb+2].
What is the InChIKey of pentakis(lead(2+));phthalate?
The InChIKey is OCNSWSWXILVBJK-UHFFFAOYSA-A. The full InChI is InChI=1S/10C8H6O4.5Pb/c10*9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h10*1-4H,(H,9,10)(H,11,12);;;;;/q;;;;;;;;;;5*+2/p-20.
What are the key properties of pentakis(lead(2+));phthalate?
pentakis(lead(2+));phthalate has a molecular weight of 2677.16 g/mol, XLogP of -17.77, 20 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(lead(2+));phthalate is sourced from PubChem (CID 173427098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).