azanium tetraphenylboranuide

C24H24BN — CID 14496924

IUPACazanium tetraphenylboranuide
SMILES[NH4+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.H3N/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;/h1-20H;1H3/q-1;/p+1
InChIKeyZWFYDLYRTYMBIL-UHFFFAOYSA-O
MW337.28 g/mol
LogP3.44
Rot. Bonds4

About azanium tetraphenylboranuide

azanium tetraphenylboranuide (PubChem CID 14496924) has the molecular formula C24H24BN and a molecular weight of 337.28 g/mol. Its IUPAC name is azanium tetraphenylboranuide.

Molecular Properties

Compound Nameazanium tetraphenylboranuide
PubChem CID14496924
Molecular FormulaC24H24BN
Molecular Weight337.28 g/mol
Exact Mass337.20
IUPAC Nameazanium tetraphenylboranuide
SMILES[NH4+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.H3N/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;/h1-20H;1H3/q-1;/p+1
InChIKeyZWFYDLYRTYMBIL-UHFFFAOYSA-O
XLogP3.44
TPSA36.50 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium tetraphenylboranuide?
The IUPAC name of azanium tetraphenylboranuide (CID 14496924) is azanium tetraphenylboranuide.
What is the SMILES notation for azanium tetraphenylboranuide?
The canonical SMILES for azanium tetraphenylboranuide is [NH4+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of azanium tetraphenylboranuide?
The InChIKey is ZWFYDLYRTYMBIL-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20B.H3N/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;/h1-20H;1H3/q-1;/p+1.
What are the key properties of azanium tetraphenylboranuide?
azanium tetraphenylboranuide has a molecular weight of 337.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanium tetraphenylboranuide is sourced from PubChem (CID 14496924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).