Tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium

C₃₃H₂₇N₉O₄Re₂-8 — CID 139063461

About Tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium

Tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium (PubChem CID 139063461) has the molecular formula C₃₃H₂₇N₉O₄Re₂-8 and a molecular weight of 986.05 g/mol. Its IUPAC name is tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium.

Molecular Properties

• Compound Name: Tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium
• PubChem CID: 139063461
• Molecular Formula: C₃₃H₂₇N₉O₄Re₂-8
• Molecular Weight: 986.05 g/mol
• Exact Mass: 987.13
• IUPAC Name: tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium
• SMILES: [O-2].[O-2].[O-2].[O-2].[Re].[Re].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
• InChI: InChI=1S/3C11H9N3.4O.2Re/c3*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;;;;;/h3*1-9H;;;;;;/q;;;4*-2;;/b3*14-13+
• InChIKey: LPXALIZBFSWUDR-FWYZWLEWSA-N
• XLogP: 10.01
• TPSA: 226.83 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.05
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 Tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium?

The IUPAC name of Tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium (CID 139063461) is tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium.

What is the SMILES notation for Tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium?

The canonical SMILES for Tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium is [O-2].[O-2].[O-2].[O-2].[Re].[Re].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.

What is the InChIKey of Tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium?

The InChIKey is LPXALIZBFSWUDR-FWYZWLEWSA-N. The full InChI is InChI=1S/3C11H9N3.4O.2Re/c3*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;;;;;/h3*1-9H;;;;;;/q;;;4*-2;;/b3*14-13+;;;;;;.

What are the key properties of Tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium?

Tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium has a molecular weight of 986.05 g/mol, XLogP of 10.01, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium is sourced from PubChem (CID 139063461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139063461 — identifiers, structure, computed properties (public domain)

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