2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+)

C₃₄H₂₆N₆O₂Ru — CID 139141168

About 2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+)

2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+) (PubChem CID 139141168) has the molecular formula C₃₄H₂₆N₆O₂Ru and a molecular weight of 651.69 g/mol. Its IUPAC name is 2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+).

Molecular Properties

• Compound Name: 2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+)
• PubChem CID: 139141168
• Molecular Formula: C₃₄H₂₆N₆O₂Ru
• Molecular Weight: 651.69 g/mol
• Exact Mass: 652.12
• IUPAC Name: 2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+)
• SMILES: [O-]c1ccccc1-c1ccccc1[O-].[Ru+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
• InChI: InChI=1S/C12H10O2.2C11H9N3.Ru/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;/h1-8,13-14H;2*1-9H;/q;;;+2/p-2/b;2*14-13+
• InChIKey: IUMVSHOURHPRGR-XVMIXBNESA-L
• XLogP: 8.49
• TPSA: 121.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.69
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+)?

The IUPAC name of 2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+) (CID 139141168) is 2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+).

What is the SMILES notation for 2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+)?

The canonical SMILES for 2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+) is [O-]c1ccccc1-c1ccccc1[O-].[Ru+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.

What is the InChIKey of 2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+)?

The InChIKey is IUMVSHOURHPRGR-XVMIXBNESA-L. The full InChI is InChI=1S/C12H10O2.2C11H9N3.Ru/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;/h1-8,13-14H;2*1-9H;/q;;;+2/p-2/b;2*14-13+;.

What are the key properties of 2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+)?

2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+) has a molecular weight of 651.69 g/mol, XLogP of 8.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+) is sourced from PubChem (CID 139141168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139141168 — identifiers, structure, computed properties (public domain)

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