CID 162417351

C₂₄H₅₂B₄IrN₂O₈ — CID 162417351

About CID 162417351

CID 162417351 (PubChem CID 162417351) has the molecular formula C₂₄H₅₂B₄IrN₂O₈ and a molecular weight of 732.15 g/mol.

Molecular Properties

• Compound Name: CID 162417351
• PubChem CID: 162417351
• Molecular Formula: C₂₄H₅₂B₄IrN₂O₈
• Molecular Weight: 732.15 g/mol
• Exact Mass: 733.37
• IUPAC Name: —
• SMILES: CC1(C)O[B]OC1(C)C.CC1(C)O[B]OC1(C)C.CC1(C)O[B]OC1(C)C.CC1(C)O[B]OC1(C)C.[Ir+2].[NH2-].[NH2-]
• InChI: InChI=1S/4C6H12BO2.Ir.2H2N/c4*1-5(2)6(3,4)9-7-8-5;;;/h4*1-4H3;;2*1H2/q;;;;+2;2*-1
• InChIKey: IVHFWLZQIHMXOV-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 140.84 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.15
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 162417351?

The IUPAC name of CID 162417351 (CID 162417351) is not available.

What is the SMILES notation for CID 162417351?

The canonical SMILES for CID 162417351 is CC1(C)O[B]OC1(C)C.CC1(C)O[B]OC1(C)C.CC1(C)O[B]OC1(C)C.CC1(C)O[B]OC1(C)C.[Ir+2].[NH2-].[NH2-].

What is the InChIKey of CID 162417351?

The InChIKey is IVHFWLZQIHMXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H12BO2.Ir.2H2N/c4*1-5(2)6(3,4)9-7-8-5;;;/h4*1-4H3;;2*1H2/q;;;;+2;2*-1.

What are the key properties of CID 162417351?

CID 162417351 has a molecular weight of 732.15 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for CID 162417351 is sourced from PubChem (CID 162417351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162417351 — identifiers, structure, computed properties (public domain)

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