3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine

C21H18N2O — CID 14959018

IUPAC3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine
SMILESc1ccc(C2=NOC(c3ccccc3)N(c3ccccc3)C2)cc1
InChIInChI=1S/C21H18N2O/c1-4-10-17(11-5-1)20-16-23(19-14-8-3-9-15-19)21(24-22-20)18-12-6-2-7-13-18/h1-15,21H,16H2
InChIKeyVHEOTROZVONIHX-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.63
Rot. Bonds3

About 3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine

3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine (PubChem CID 14959018) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine.

Molecular Properties

Compound Name3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine
PubChem CID14959018
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine
SMILESc1ccc(C2=NOC(c3ccccc3)N(c3ccccc3)C2)cc1
InChIInChI=1S/C21H18N2O/c1-4-10-17(11-5-1)20-16-23(19-14-8-3-9-15-19)21(24-22-20)18-12-6-2-7-13-18/h1-15,21H,16H2
InChIKeyVHEOTROZVONIHX-UHFFFAOYSA-N
XLogP4.63
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine?
The IUPAC name of 3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine (CID 14959018) is 3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine.
What is the SMILES notation for 3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine?
The canonical SMILES for 3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine is c1ccc(C2=NOC(c3ccccc3)N(c3ccccc3)C2)cc1.
What is the InChIKey of 3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine?
The InChIKey is VHEOTROZVONIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-4-10-17(11-5-1)20-16-23(19-14-8-3-9-15-19)21(24-22-20)18-12-6-2-7-13-18/h1-15,21H,16H2.
What are the key properties of 3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine?
3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine has a molecular weight of 314.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-triphenyl-4,6-dihydro-1,2,5-oxadiazine is sourced from PubChem (CID 14959018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).