tetramethylazanium;tetraphenylboranuide

C28H32BN — CID 11079735

IUPACtetramethylazanium;tetraphenylboranuide
SMILESC[N+](C)(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C4H12N/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;1-5(2,3)4/h1-20H;1-4H3/q-1;+1
InChIKeyOYLLGGNHXZRMRR-UHFFFAOYSA-N
MW393.38 g/mol
LogP3.39
Rot. Bonds4

About tetramethylazanium;tetraphenylboranuide

tetramethylazanium;tetraphenylboranuide (PubChem CID 11079735) has the molecular formula C28H32BN and a molecular weight of 393.38 g/mol. Its IUPAC name is tetramethylazanium;tetraphenylboranuide.

Molecular Properties

Compound Nametetramethylazanium;tetraphenylboranuide
PubChem CID11079735
Molecular FormulaC28H32BN
Molecular Weight393.38 g/mol
Exact Mass393.26
IUPAC Nametetramethylazanium;tetraphenylboranuide
SMILESC[N+](C)(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C4H12N/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;1-5(2,3)4/h1-20H;1-4H3/q-1;+1
InChIKeyOYLLGGNHXZRMRR-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 53.39
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'}

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Frequently Asked Questions

What is the IUPAC name of tetramethylazanium;tetraphenylboranuide?
The IUPAC name of tetramethylazanium;tetraphenylboranuide (CID 11079735) is tetramethylazanium;tetraphenylboranuide.
What is the SMILES notation for tetramethylazanium;tetraphenylboranuide?
The canonical SMILES for tetramethylazanium;tetraphenylboranuide is C[N+](C)(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetramethylazanium;tetraphenylboranuide?
The InChIKey is OYLLGGNHXZRMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.C4H12N/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;1-5(2,3)4/h1-20H;1-4H3/q-1;+1.
What are the key properties of tetramethylazanium;tetraphenylboranuide?
tetramethylazanium;tetraphenylboranuide has a molecular weight of 393.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;tetraphenylboranuide is sourced from PubChem (CID 11079735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).