tetraphenylboranuide;trimethylazanium

C27H30BN — CID 15241873

IUPACtetraphenylboranuide;trimethylazanium
SMILESC[NH+](C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C3H9N/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;1-4(2)3/h1-20H;1-3H3/q-1;/p+1
InChIKeyHHBWPCWFGJXCHW-UHFFFAOYSA-O
MW379.36 g/mol
LogP1.82
Rot. Bonds4

About tetraphenylboranuide;trimethylazanium

tetraphenylboranuide;trimethylazanium (PubChem CID 15241873) has the molecular formula C27H30BN and a molecular weight of 379.36 g/mol. Its IUPAC name is tetraphenylboranuide;trimethylazanium.

Molecular Properties

Compound Nametetraphenylboranuide;trimethylazanium
PubChem CID15241873
Molecular FormulaC27H30BN
Molecular Weight379.36 g/mol
Exact Mass379.25
IUPAC Nametetraphenylboranuide;trimethylazanium
SMILESC[NH+](C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C3H9N/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;1-4(2)3/h1-20H;1-3H3/q-1;/p+1
InChIKeyHHBWPCWFGJXCHW-UHFFFAOYSA-O
XLogP1.82
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 51.82
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 tetraphenylboranuide;trimethylazanium?
The IUPAC name of tetraphenylboranuide;trimethylazanium (CID 15241873) is tetraphenylboranuide;trimethylazanium.
What is the SMILES notation for tetraphenylboranuide;trimethylazanium?
The canonical SMILES for tetraphenylboranuide;trimethylazanium is C[NH+](C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetraphenylboranuide;trimethylazanium?
The InChIKey is HHBWPCWFGJXCHW-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20B.C3H9N/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;1-4(2)3/h1-20H;1-3H3/q-1;/p+1.
What are the key properties of tetraphenylboranuide;trimethylazanium?
tetraphenylboranuide;trimethylazanium has a molecular weight of 379.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraphenylboranuide;trimethylazanium is sourced from PubChem (CID 15241873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).