1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone

C16H10N2O4 — CID 22323521

IUPAC1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone
SMILESO=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H10N2O4/c19-13-14(20)17(11-7-3-1-4-8-11)16(22)18(15(13)21)12-9-5-2-6-10-12/h1-10H
InChIKeyBSKJDEYIFRVKPI-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.76
Rot. Bonds2

About 1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone

1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone (PubChem CID 22323521) has the molecular formula C16H10N2O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone.

Molecular Properties

Compound Name1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone
PubChem CID22323521
Molecular FormulaC16H10N2O4
Molecular Weight294.27 g/mol
Exact Mass294.06
IUPAC Name1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone
SMILESO=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H10N2O4/c19-13-14(20)17(11-7-3-1-4-8-11)16(22)18(15(13)21)12-9-5-2-6-10-12/h1-10H
InChIKeyBSKJDEYIFRVKPI-UHFFFAOYSA-N
XLogP1.76
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-diphenylpyrazolidine-3,4,5-trione
CID 162788375
3,4-difluoro-1-phenylpyrrole-2,5-dione
CID 13059269
5-benzhydrylidene-1,3-diphenyl-6-sulfanylidene-1,3-diazinane-2,4-dione
CID 56984033
1-phenyl-3-propylimidazolidine-2,4,5-trione
CID 13310932
2,4,6-trioxo-1,3-diphenyl-1,3-diazinane-5-carbaldehyde
CID 2784820
methane;1-phenylpyrrole-2,5-dione
CID 174935875
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
5,6-dimethyl-1-phenylindole-2,3-dione
CID 58784925
1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione
CID 3028843
5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 19166951
2-(dichloromethylidene)-3-phenyl-1,3-oxazolidine-4,5-dione
CID 165345631
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 20607089

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone?
The IUPAC name of 1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone (CID 22323521) is 1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone.
What is the SMILES notation for 1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone?
The canonical SMILES for 1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone is O=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone?
The InChIKey is BSKJDEYIFRVKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O4/c19-13-14(20)17(11-7-3-1-4-8-11)16(22)18(15(13)21)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone?
1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone has a molecular weight of 294.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone is sourced from PubChem (CID 22323521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).