tetraphenylboranuide;trimethyl(phenyl)azanium

C33H34BN — CID 12504234

IUPACtetraphenylboranuide;trimethyl(phenyl)azanium
SMILESC[N+](C)(C)c1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C9H14N/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;1-10(2,3)9-7-5-4-6-8-9/h1-20H;4-8H,1-3H3/q-1;+1
InChIKeyPUYGJJJFTJBLSV-UHFFFAOYSA-N
MW455.45 g/mol
LogP4.95
Rot. Bonds5

About tetraphenylboranuide;trimethyl(phenyl)azanium

tetraphenylboranuide;trimethyl(phenyl)azanium (PubChem CID 12504234) has the molecular formula C33H34BN and a molecular weight of 455.45 g/mol. Its IUPAC name is tetraphenylboranuide;trimethyl(phenyl)azanium.

Molecular Properties

Compound Nametetraphenylboranuide;trimethyl(phenyl)azanium
PubChem CID12504234
Molecular FormulaC33H34BN
Molecular Weight455.45 g/mol
Exact Mass455.28
IUPAC Nametetraphenylboranuide;trimethyl(phenyl)azanium
SMILESC[N+](C)(C)c1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C9H14N/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;1-10(2,3)9-7-5-4-6-8-9/h1-20H;4-8H,1-3H3/q-1;+1
InChIKeyPUYGJJJFTJBLSV-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze tetraphenylboranuide;trimethyl(phenyl)azanium 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

dimethyl-(113C)methyl-phenylazanium iodide
CID 11334548
trimethyl(phenyl)azanium fluoride
CID 15787908
methanamine;tetraphenylboranuide
CID 175835863
chloroalumane;trimethyl(phenyl)azanium;chloride
CID 173074857
dimethylphosphanium;tetraphenylboranuide
CID 174900648
azane;trimethyl(phenyl)azanium;hexafluorophosphate
CID 175267450
ethanolate;trimethyl(phenyl)azanium
CID 12512092
CID 174934257
CID 174934257
calcium;tetraphenylboranuide;iodide
CID 23136649
trimethyl(phenyl)azanium permanganate
CID 134811481
fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)
CID 66672523
hydroxyazanium;tetraphenylboranuide
CID 171792531

Frequently Asked Questions

What is the IUPAC name of tetraphenylboranuide;trimethyl(phenyl)azanium?
The IUPAC name of tetraphenylboranuide;trimethyl(phenyl)azanium (CID 12504234) is tetraphenylboranuide;trimethyl(phenyl)azanium.
What is the SMILES notation for tetraphenylboranuide;trimethyl(phenyl)azanium?
The canonical SMILES for tetraphenylboranuide;trimethyl(phenyl)azanium is C[N+](C)(C)c1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetraphenylboranuide;trimethyl(phenyl)azanium?
The InChIKey is PUYGJJJFTJBLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.C9H14N/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;1-10(2,3)9-7-5-4-6-8-9/h1-20H;4-8H,1-3H3/q-1;+1.
What are the key properties of tetraphenylboranuide;trimethyl(phenyl)azanium?
tetraphenylboranuide;trimethyl(phenyl)azanium has a molecular weight of 455.45 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraphenylboranuide;trimethyl(phenyl)azanium is sourced from PubChem (CID 12504234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).