hydroxyazanium;tetraphenylboranuide

C24H24BNO — CID 171792531

IUPAChydroxyazanium;tetraphenylboranuide
SMILES[NH3+]O.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.H4NO/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2/h1-20H;2H,1H3/q-1;+1
InChIKeyHUCNQZNNWHGAPF-UHFFFAOYSA-N
MW353.27 g/mol
LogP1.68
Rot. Bonds4

About hydroxyazanium;tetraphenylboranuide

hydroxyazanium;tetraphenylboranuide (PubChem CID 171792531) has the molecular formula C24H24BNO and a molecular weight of 353.27 g/mol. Its IUPAC name is hydroxyazanium;tetraphenylboranuide.

Molecular Properties

Compound Namehydroxyazanium;tetraphenylboranuide
PubChem CID171792531
Molecular FormulaC24H24BNO
Molecular Weight353.27 g/mol
Exact Mass353.20
IUPAC Namehydroxyazanium;tetraphenylboranuide
SMILES[NH3+]O.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.H4NO/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2/h1-20H;2H,1H3/q-1;+1
InChIKeyHUCNQZNNWHGAPF-UHFFFAOYSA-N
XLogP1.68
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hydroxyazanium;tetraphenylboranuide with MolForge

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

Launch Full Analysis

Related Compounds

calcium;tetraphenylboranuide;iodide
CID 23136649
CID 174934257
CID 174934257
tetraphenylboranuide tetrafluoroborate
CID 87564099
methanamine;tetraphenylboranuide
CID 175835863
sodium;boric acid;hydride;tetraphenylboranuide
CID 173188493
dimethylphosphanium;tetraphenylboranuide
CID 174900648
tetraphenylboranuide;tritert-butylphosphane
CID 86674235
buta-1,3-diene;rhodium;tetraphenylboranuide
CID 11005281
tert-butyliodanium;tetraphenylboranuide
CID 156646741
CID 134901880
CID 134901880
tetraphenylboranuide;triethylazanium
CID 11080326
bis(4-tert-butylphenyl)-diphenylboranuide
CID 176879927

Frequently Asked Questions

What is the IUPAC name of hydroxyazanium;tetraphenylboranuide?
The IUPAC name of hydroxyazanium;tetraphenylboranuide (CID 171792531) is hydroxyazanium;tetraphenylboranuide.
What is the SMILES notation for hydroxyazanium;tetraphenylboranuide?
The canonical SMILES for hydroxyazanium;tetraphenylboranuide is [NH3+]O.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of hydroxyazanium;tetraphenylboranuide?
The InChIKey is HUCNQZNNWHGAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.H4NO/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2/h1-20H;2H,1H3/q-1;+1.
What are the key properties of hydroxyazanium;tetraphenylboranuide?
hydroxyazanium;tetraphenylboranuide has a molecular weight of 353.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyazanium;tetraphenylboranuide is sourced from PubChem (CID 171792531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).