naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine

C32H22N2O4 — CID 139039106

IUPACnaphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine
SMILESO=C(O)c1ccc2cc(C(=O)O)ccc2c1.c1cc(-c2ccncc2)c2c(-c3ccncc3)cccc2c1
InChIInChI=1S/C20H14N2.C12H8O4/c1-3-17-4-2-6-19(16-9-13-22-14-10-16)20(17)18(5-1)15-7-11-21-12-8-15;13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-14H;1-6H,(H,13,14)(H,15,16)
InChIKeyLKVBAVOYYQNABD-UHFFFAOYSA-N
MW498.54 g/mol
LogP7.20
Rot. Bonds4

About naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine

naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine (PubChem CID 139039106) has the molecular formula C32H22N2O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine.

Molecular Properties

Compound Namenaphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine
PubChem CID139039106
Molecular FormulaC32H22N2O4
Molecular Weight498.54 g/mol
Exact Mass498.16
IUPAC Namenaphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine
SMILESO=C(O)c1ccc2cc(C(=O)O)ccc2c1.c1cc(-c2ccncc2)c2c(-c3ccncc3)cccc2c1
InChIInChI=1S/C20H14N2.C12H8O4/c1-3-17-4-2-6-19(16-9-13-22-14-10-16)20(17)18(5-1)15-7-11-21-12-8-15;13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-14H;1-6H,(H,13,14)(H,15,16)
InChIKeyLKVBAVOYYQNABD-UHFFFAOYSA-N
XLogP7.20
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.54
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine 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 naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine?
The IUPAC name of naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine (CID 139039106) is naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine.
What is the SMILES notation for naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine?
The canonical SMILES for naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine is O=C(O)c1ccc2cc(C(=O)O)ccc2c1.c1cc(-c2ccncc2)c2c(-c3ccncc3)cccc2c1.
What is the InChIKey of naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine?
The InChIKey is LKVBAVOYYQNABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2.C12H8O4/c1-3-17-4-2-6-19(16-9-13-22-14-10-16)20(17)18(5-1)15-7-11-21-12-8-15;13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-14H;1-6H,(H,13,14)(H,15,16).
What are the key properties of naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine?
naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine has a molecular weight of 498.54 g/mol, XLogP of 7.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,6-dicarboxylic acid;4-(8-pyridin-4-ylnaphthalen-1-yl)pyridine is sourced from PubChem (CID 139039106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).