bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium

C40H24N10O6U-6 — CID 139177757

IUPACbis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium
SMILESO=C([O-])c1ccc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)cc1.O=C([O-])c1ccc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)cc1.[O-2].[O-2].[U]
InChIInChI=1S/2C20H13N5O2.2O.U/c2*26-20(27)14-3-1-13(2-4-14)15-9-16(18-11-21-5-7-23-18)25-17(10-15)19-12-22-6-8-24-19;;;/h2*1-12H,(H,26,27);;;/q;;2*-2;/p-2
InChIKeyNZKQXZVDPZMUJL-UHFFFAOYSA-L
MW978.72 g/mol
LogP3.81
Rot. Bonds8

About bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium

bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium (PubChem CID 139177757) has the molecular formula C40H24N10O6U-6 and a molecular weight of 978.72 g/mol. Its IUPAC name is bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium.

Molecular Properties

Compound Namebis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium
PubChem CID139177757
Molecular FormulaC40H24N10O6U-6
Molecular Weight978.72 g/mol
Exact Mass978.24
IUPAC Namebis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium
SMILESO=C([O-])c1ccc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)cc1.O=C([O-])c1ccc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)cc1.[O-2].[O-2].[U]
InChIInChI=1S/2C20H13N5O2.2O.U/c2*26-20(27)14-3-1-13(2-4-14)15-9-16(18-11-21-5-7-23-18)25-17(10-15)19-12-22-6-8-24-19;;;/h2*1-12H,(H,26,27);;;/q;;2*-2;/p-2
InChIKeyNZKQXZVDPZMUJL-UHFFFAOYSA-L
XLogP3.81
TPSA266.16 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.72
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium 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 bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium?
The IUPAC name of bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium (CID 139177757) is bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium.
What is the SMILES notation for bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium?
The canonical SMILES for bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium is O=C([O-])c1ccc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)cc1.O=C([O-])c1ccc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)cc1.[O-2].[O-2].[U].
What is the InChIKey of bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium?
The InChIKey is NZKQXZVDPZMUJL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H13N5O2.2O.U/c2*26-20(27)14-3-1-13(2-4-14)15-9-16(18-11-21-5-7-23-18)25-17(10-15)19-12-22-6-8-24-19;;;/h2*1-12H,(H,26,27);;;/q;;2*-2;/p-2.
What are the key properties of bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium?
bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium has a molecular weight of 978.72 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium is sourced from PubChem (CID 139177757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).