triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium

C28H26O2P+ — CID 156789006

IUPACtriphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
SMILESCc1cc(C)c(C(=O)O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C28H26O2P/c1-21-19-22(2)27(23(3)20-21)28(29)30-31(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-20H,1-3H3/q+1
InChIKeyHKAARBIGZAYPQZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.68
Rot. Bonds5

About triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium

triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium (PubChem CID 156789006) has the molecular formula C28H26O2P+ and a molecular weight of 425.49 g/mol. Its IUPAC name is triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium.

Molecular Properties

Compound Nametriphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
PubChem CID156789006
Molecular FormulaC28H26O2P+
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Nametriphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
SMILESCc1cc(C)c(C(=O)O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C28H26O2P/c1-21-19-22(2)27(23(3)20-21)28(29)30-31(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-20H,1-3H3/q+1
InChIKeyHKAARBIGZAYPQZ-UHFFFAOYSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium 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 triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium?
The IUPAC name of triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium (CID 156789006) is triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium.
What is the SMILES notation for triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium?
The canonical SMILES for triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium is Cc1cc(C)c(C(=O)O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium?
The InChIKey is HKAARBIGZAYPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2P/c1-21-19-22(2)27(23(3)20-21)28(29)30-31(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-20H,1-3H3/q+1.
What are the key properties of triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium?
triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium has a molecular weight of 425.49 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium is sourced from PubChem (CID 156789006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).