cerium;tris(naphthalene-1,5-dicarboxylic acid)

C36H24Ce2O12 — CID 162353954

IUPACcerium;tris(naphthalene-1,5-dicarboxylic acid)
SMILESO=C(O)c1cccc2c(C(=O)O)cccc12.O=C(O)c1cccc2c(C(=O)O)cccc12.O=C(O)c1cccc2c(C(=O)O)cccc12.[Ce].[Ce]
InChIInChI=1S/3C12H8O4.2Ce/c3*13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16;;/h3*1-6H,(H,13,14)(H,15,16);;
InChIKeyIUJNFMLWJQNWLD-UHFFFAOYSA-N
MW928.81 g/mol
LogP6.71
Rot. Bonds6

About cerium;tris(naphthalene-1,5-dicarboxylic acid)

cerium;tris(naphthalene-1,5-dicarboxylic acid) (PubChem CID 162353954) has the molecular formula C36H24Ce2O12 and a molecular weight of 928.81 g/mol. Its IUPAC name is cerium;tris(naphthalene-1,5-dicarboxylic acid).

Molecular Properties

Compound Namecerium;tris(naphthalene-1,5-dicarboxylic acid)
PubChem CID162353954
Molecular FormulaC36H24Ce2O12
Molecular Weight928.81 g/mol
Exact Mass927.94
IUPAC Namecerium;tris(naphthalene-1,5-dicarboxylic acid)
SMILESO=C(O)c1cccc2c(C(=O)O)cccc12.O=C(O)c1cccc2c(C(=O)O)cccc12.O=C(O)c1cccc2c(C(=O)O)cccc12.[Ce].[Ce]
InChIInChI=1S/3C12H8O4.2Ce/c3*13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16;;/h3*1-6H,(H,13,14)(H,15,16);;
InChIKeyIUJNFMLWJQNWLD-UHFFFAOYSA-N
XLogP6.71
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500928.81
LogP ≤ 56.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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5-pyridin-4-ylnaphthalene-1-carboxylic acid
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5-cyanatonaphthalene-1-carboxylic acid
CID 139949413
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of cerium;tris(naphthalene-1,5-dicarboxylic acid)?
The IUPAC name of cerium;tris(naphthalene-1,5-dicarboxylic acid) (CID 162353954) is cerium;tris(naphthalene-1,5-dicarboxylic acid).
What is the SMILES notation for cerium;tris(naphthalene-1,5-dicarboxylic acid)?
The canonical SMILES for cerium;tris(naphthalene-1,5-dicarboxylic acid) is O=C(O)c1cccc2c(C(=O)O)cccc12.O=C(O)c1cccc2c(C(=O)O)cccc12.O=C(O)c1cccc2c(C(=O)O)cccc12.[Ce].[Ce].
What is the InChIKey of cerium;tris(naphthalene-1,5-dicarboxylic acid)?
The InChIKey is IUJNFMLWJQNWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8O4.2Ce/c3*13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16;;/h3*1-6H,(H,13,14)(H,15,16);;.
What are the key properties of cerium;tris(naphthalene-1,5-dicarboxylic acid)?
cerium;tris(naphthalene-1,5-dicarboxylic acid) has a molecular weight of 928.81 g/mol, XLogP of 6.71, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;tris(naphthalene-1,5-dicarboxylic acid) is sourced from PubChem (CID 162353954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).