bis(naphthalene-2,6-dicarboxylic acid);zirconium

C24H16O8Zr — CID 162353964

IUPACbis(naphthalene-2,6-dicarboxylic acid);zirconium
SMILESO=C(O)c1ccc2cc(C(=O)O)ccc2c1.O=C(O)c1ccc2cc(C(=O)O)ccc2c1.[Zr]
InChIInChI=1S/2C12H8O4.Zr/c2*13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;/h2*1-6H,(H,13,14)(H,15,16);
InChIKeyXNWUKGIEIQTULP-UHFFFAOYSA-N
MW523.61 g/mol
LogP4.47
Rot. Bonds4

About bis(naphthalene-2,6-dicarboxylic acid);zirconium

bis(naphthalene-2,6-dicarboxylic acid);zirconium (PubChem CID 162353964) has the molecular formula C24H16O8Zr and a molecular weight of 523.61 g/mol. Its IUPAC name is bis(naphthalene-2,6-dicarboxylic acid);zirconium.

Molecular Properties

Compound Namebis(naphthalene-2,6-dicarboxylic acid);zirconium
PubChem CID162353964
Molecular FormulaC24H16O8Zr
Molecular Weight523.61 g/mol
Exact Mass521.99
IUPAC Namebis(naphthalene-2,6-dicarboxylic acid);zirconium
SMILESO=C(O)c1ccc2cc(C(=O)O)ccc2c1.O=C(O)c1ccc2cc(C(=O)O)ccc2c1.[Zr]
InChIInChI=1S/2C12H8O4.Zr/c2*13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;/h2*1-6H,(H,13,14)(H,15,16);
InChIKeyXNWUKGIEIQTULP-UHFFFAOYSA-N
XLogP4.47
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.61
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(naphthalene-2,6-dicarboxylic acid);zirconium?
The IUPAC name of bis(naphthalene-2,6-dicarboxylic acid);zirconium (CID 162353964) is bis(naphthalene-2,6-dicarboxylic acid);zirconium.
What is the SMILES notation for bis(naphthalene-2,6-dicarboxylic acid);zirconium?
The canonical SMILES for bis(naphthalene-2,6-dicarboxylic acid);zirconium is O=C(O)c1ccc2cc(C(=O)O)ccc2c1.O=C(O)c1ccc2cc(C(=O)O)ccc2c1.[Zr].
What is the InChIKey of bis(naphthalene-2,6-dicarboxylic acid);zirconium?
The InChIKey is XNWUKGIEIQTULP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8O4.Zr/c2*13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;/h2*1-6H,(H,13,14)(H,15,16);.
What are the key properties of bis(naphthalene-2,6-dicarboxylic acid);zirconium?
bis(naphthalene-2,6-dicarboxylic acid);zirconium has a molecular weight of 523.61 g/mol, XLogP of 4.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(naphthalene-2,6-dicarboxylic acid);zirconium is sourced from PubChem (CID 162353964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).