dimethylphosphanium;tetraphenylboranuide

C26H28BP — CID 174900648

IUPACdimethylphosphanium;tetraphenylboranuide
SMILESC[PH2+]C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C2H7P/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;1-3-2/h1-20H;3H,1-2H3/q-1;/p+1
InChIKeyDBQDUQYZOZYCEZ-UHFFFAOYSA-O
MW382.30 g/mol
LogP3.72
Rot. Bonds4

About dimethylphosphanium;tetraphenylboranuide

dimethylphosphanium;tetraphenylboranuide (PubChem CID 174900648) has the molecular formula C26H28BP and a molecular weight of 382.30 g/mol. Its IUPAC name is dimethylphosphanium;tetraphenylboranuide.

Molecular Properties

Compound Namedimethylphosphanium;tetraphenylboranuide
PubChem CID174900648
Molecular FormulaC26H28BP
Molecular Weight382.30 g/mol
Exact Mass382.20
IUPAC Namedimethylphosphanium;tetraphenylboranuide
SMILESC[PH2+]C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C2H7P/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;1-3-2/h1-20H;3H,1-2H3/q-1;/p+1
InChIKeyDBQDUQYZOZYCEZ-UHFFFAOYSA-O
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethylphosphanium;tetraphenylboranuide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethylphosphanium;tetraphenylboranuide?
The IUPAC name of dimethylphosphanium;tetraphenylboranuide (CID 174900648) is dimethylphosphanium;tetraphenylboranuide.
What is the SMILES notation for dimethylphosphanium;tetraphenylboranuide?
The canonical SMILES for dimethylphosphanium;tetraphenylboranuide is C[PH2+]C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dimethylphosphanium;tetraphenylboranuide?
The InChIKey is DBQDUQYZOZYCEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20B.C2H7P/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;1-3-2/h1-20H;3H,1-2H3/q-1;/p+1.
What are the key properties of dimethylphosphanium;tetraphenylboranuide?
dimethylphosphanium;tetraphenylboranuide has a molecular weight of 382.30 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphanium;tetraphenylboranuide is sourced from PubChem (CID 174900648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).