CID 162417351

C24H52B4IrN2O8 — CID 162417351

IUPAC—
SMILESCC1(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-]
InChIInChI=1S/4C6H12BO2.Ir.2H2N/c4*1-5(2)6(3,4)9-7-8-5;;;/h4*1-4H3;;2*1H2/q;;;;+2;2*-1
InChIKeyIVHFWLZQIHMXOV-UHFFFAOYSA-N
MW732.15 g/mol
LogP5.93
Rot. Bonds

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 NameCID 162417351
PubChem CID162417351
Molecular FormulaC24H52B4IrN2O8
Molecular Weight732.15 g/mol
Exact Mass733.37
IUPAC Name—
SMILESCC1(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-]
InChIInChI=1S/4C6H12BO2.Ir.2H2N/c4*1-5(2)6(3,4)9-7-8-5;;;/h4*1-4H3;;2*1H2/q;;;;+2;2*-1
InChIKeyIVHFWLZQIHMXOV-UHFFFAOYSA-N
XLogP5.93
TPSA140.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.15
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze CID 162417351 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).