trityl benzoate

C26H20O2 — CID 621193

IUPACtrityl benzoate
SMILESO=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20O2/c27-25(21-13-5-1-6-14-21)28-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyIWTBESTVUWMZEH-UHFFFAOYSA-N
MW364.44 g/mol
LogP5.84
Rot. Bonds5

About trityl benzoate

trityl benzoate (PubChem CID 621193) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is trityl benzoate.

Molecular Properties

Compound Nametrityl benzoate
PubChem CID621193
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Nametrityl benzoate
SMILESO=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20O2/c27-25(21-13-5-1-6-14-21)28-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyIWTBESTVUWMZEH-UHFFFAOYSA-N
XLogP5.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trityl benzoate?
The IUPAC name of trityl benzoate (CID 621193) is trityl benzoate.
What is the SMILES notation for trityl benzoate?
The canonical SMILES for trityl benzoate is O=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of trityl benzoate?
The InChIKey is IWTBESTVUWMZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O2/c27-25(21-13-5-1-6-14-21)28-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of trityl benzoate?
trityl benzoate has a molecular weight of 364.44 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trityl benzoate is sourced from PubChem (CID 621193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).