Osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide

C₆₈H₅₂I₆N₁₆Os₂-6 — CID 139127813

About Osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide

Osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide (PubChem CID 139127813) has the molecular formula C₆₈H₅₂I₆N₁₆Os₂-6 and a molecular weight of 2235.16 g/mol. Its IUPAC name is osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide.

Molecular Properties

• Compound Name: Osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide
• PubChem CID: 139127813
• Molecular Formula: C₆₈H₅₂I₆N₁₆Os₂-6
• Molecular Weight: 2235.16 g/mol
• Exact Mass: 2237.81
• IUPAC Name: osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide
• SMILES: I[I-]I.I[I-]I.[Os].[Os].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1
• InChI: InChI=1S/4C17H13N4.2I3.2Os/c4*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;2*1-3-2;;/h4*1-13H;;;;/q6*-1;;/b2*21-20+;2*21-20-
• InChIKey: HKGBTPLFGIEWTF-QJJNSJSWSA-N
• XLogP: 20.88
• TPSA: 206.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2235.16
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide?

The IUPAC name of Osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide (CID 139127813) is osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide.

What is the SMILES notation for Osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide?

The canonical SMILES for Osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide is I[I-]I.I[I-]I.[Os].[Os].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1.

What is the InChIKey of Osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide?

The InChIKey is HKGBTPLFGIEWTF-QJJNSJSWSA-N. The full InChI is InChI=1S/4C17H13N4.2I3.2Os/c4*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;2*1-3-2;;/h4*1-13H;;;;/q6*-1;;/b2*21-20+;2*21-20-;;;;.

What are the key properties of Osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide?

Osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide has a molecular weight of 2235.16 g/mol, XLogP of 20.88, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for Osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide is sourced from PubChem (CID 139127813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139127813 — identifiers, structure, computed properties (public domain)

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