bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium

C80H80Co2N8O20U2-10 — CID 139143541

About bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium

bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium (PubChem CID 139143541) has the molecular formula C80H80Co2N8O20U2-10 and a molecular weight of 2067.48 g/mol. Its IUPAC name is bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium.

Molecular Properties

• Compound Name: bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium
• PubChem CID: 139143541
• Molecular Formula: C80H80Co2N8O20U2-10
• Molecular Weight: 2067.48 g/mol
• Exact Mass: 2066.52
• IUPAC Name: bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium
• SMILES: O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].[U].[U].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/4C12H8N2.4C8H14O4.2Co.4O.2U/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*9-7(10)5-3-1-2-4-6-8(11)12;;;;;;;;/h4*1-8H;4*1-6H2,(H,9,10)(H,11,12);;;;;;;;/q;;;;;;;;2*+3;4*-2;;/p-8
• InChIKey: LCUZLAASMXOFEX-UHFFFAOYSA-F
• XLogP: 5.96
• TPSA: 538.16 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2067.48
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium?

The IUPAC name of bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium (CID 139143541) is bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium.

What is the SMILES notation for bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium?

The canonical SMILES for bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium is O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].[U].[U].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium?

The InChIKey is LCUZLAASMXOFEX-UHFFFAOYSA-F. The full InChI is InChI=1S/4C12H8N2.4C8H14O4.2Co.4O.2U/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*9-7(10)5-3-1-2-4-6-8(11)12;;;;;;;;/h4*1-8H;4*1-6H2,(H,9,10)(H,11,12);;;;;;;;/q;;;;;;;;2*+3;4*-2;;/p-8.

What are the key properties of bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium?

bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium has a molecular weight of 2067.48 g/mol, XLogP of 5.96, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium is sourced from PubChem (CID 139143541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).