cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate

C32H28CeN12O20Ru — CID 139172341

About cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate

cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate (PubChem CID 139172341) has the molecular formula C32H28CeN12O20Ru and a molecular weight of 1141.83 g/mol. Its IUPAC name is cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate.

Molecular Properties

• Compound Name: cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate
• PubChem CID: 139172341
• Molecular Formula: C32H28CeN12O20Ru
• Molecular Weight: 1141.83 g/mol
• Exact Mass: 1141.96
• IUPAC Name: cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate
• SMILES: COc1ccnc(-c2cc(OC)ccn2)c1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+3].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C12H12N2O2.2C10H8N2.Ce.6NO3.Ru/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;6*2-1(3)4;/h3-8H,1-2H3;2*1-8H;;;;;;;;/q;;;+3;6*-1;+3
• InChIKey: YNYZHLHGGXWFMG-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 493.00 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1141.83
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate?

The IUPAC name of cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate (CID 139172341) is cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate.

What is the SMILES notation for cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate?

The canonical SMILES for cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate is COc1ccnc(-c2cc(OC)ccn2)c1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+3].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate?

The InChIKey is YNYZHLHGGXWFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.2C10H8N2.Ce.6NO3.Ru/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;6*2-1(3)4;/h3-8H,1-2H3;2*1-8H;;;;;;;;/q;;;+3;6*-1;+3.

What are the key properties of cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate?

cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate has a molecular weight of 1141.83 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for cerium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);hexanitrate is sourced from PubChem (CID 139172341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).