3,4,5-triphenyl-2H-oxazine

C22H17NO — CID 54008469

IUPAC3,4,5-triphenyl-2H-oxazine
SMILESC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)NO1
InChIInChI=1S/C22H17NO/c1-4-10-17(11-5-1)20-16-24-23-22(19-14-8-3-9-15-19)21(20)18-12-6-2-7-13-18/h1-16,23H
InChIKeyKQOVZIYFSKPAAM-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.13
Rot. Bonds3

About 3,4,5-triphenyl-2H-oxazine

3,4,5-triphenyl-2H-oxazine (PubChem CID 54008469) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 3,4,5-triphenyl-2H-oxazine.

Molecular Properties

Compound Name3,4,5-triphenyl-2H-oxazine
PubChem CID54008469
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name3,4,5-triphenyl-2H-oxazine
SMILESC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)NO1
InChIInChI=1S/C22H17NO/c1-4-10-17(11-5-1)20-16-24-23-22(19-14-8-3-9-15-19)21(20)18-12-6-2-7-13-18/h1-16,23H
InChIKeyKQOVZIYFSKPAAM-UHFFFAOYSA-N
XLogP5.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triphenyl-2H-oxazine?
The IUPAC name of 3,4,5-triphenyl-2H-oxazine (CID 54008469) is 3,4,5-triphenyl-2H-oxazine.
What is the SMILES notation for 3,4,5-triphenyl-2H-oxazine?
The canonical SMILES for 3,4,5-triphenyl-2H-oxazine is C1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)NO1.
What is the InChIKey of 3,4,5-triphenyl-2H-oxazine?
The InChIKey is KQOVZIYFSKPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-4-10-17(11-5-1)20-16-24-23-22(19-14-8-3-9-15-19)21(20)18-12-6-2-7-13-18/h1-16,23H.
What are the key properties of 3,4,5-triphenyl-2H-oxazine?
3,4,5-triphenyl-2H-oxazine has a molecular weight of 311.38 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triphenyl-2H-oxazine is sourced from PubChem (CID 54008469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).