2,2,3,3-tetraphenyloxirane

C26H20O — CID 596839

IUPAC2,2,3,3-tetraphenyloxirane
SMILESc1ccc(C2(c3ccccc3)OC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H20O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(27-25,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyVGWMANKEPYEWNK-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.90
Rot. Bonds4

About 2,2,3,3-tetraphenyloxirane

2,2,3,3-tetraphenyloxirane (PubChem CID 596839) has the molecular formula C26H20O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2,2,3,3-tetraphenyloxirane.

Molecular Properties

Compound Name2,2,3,3-tetraphenyloxirane
PubChem CID596839
Molecular FormulaC26H20O
Molecular Weight348.45 g/mol
Exact Mass348.15
IUPAC Name2,2,3,3-tetraphenyloxirane
SMILESc1ccc(C2(c3ccccc3)OC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H20O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(27-25,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyVGWMANKEPYEWNK-UHFFFAOYSA-N
XLogP5.90
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetraphenyloxirane?
The IUPAC name of 2,2,3,3-tetraphenyloxirane (CID 596839) is 2,2,3,3-tetraphenyloxirane.
What is the SMILES notation for 2,2,3,3-tetraphenyloxirane?
The canonical SMILES for 2,2,3,3-tetraphenyloxirane is c1ccc(C2(c3ccccc3)OC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,2,3,3-tetraphenyloxirane?
The InChIKey is VGWMANKEPYEWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(27-25,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of 2,2,3,3-tetraphenyloxirane?
2,2,3,3-tetraphenyloxirane has a molecular weight of 348.45 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetraphenyloxirane is sourced from PubChem (CID 596839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).