5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione

C23H16N2O3 — CID 3104418

IUPAC5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(=Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-21-20(16-17-10-4-1-5-11-17)22(27)25(19-14-8-3-9-15-19)23(28)24(21)18-12-6-2-7-13-18/h1-16H
InChIKeyASXNTIIEIUMACF-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.27
Rot. Bonds3

About 5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione

5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione (PubChem CID 3104418) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione
PubChem CID3104418
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(=Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-21-20(16-17-10-4-1-5-11-17)22(27)25(19-14-8-3-9-15-19)23(28)24(21)18-12-6-2-7-13-18/h1-16H
InChIKeyASXNTIIEIUMACF-UHFFFAOYSA-N
XLogP4.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione (CID 3104418) is 5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione is O=C1C(=Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ASXNTIIEIUMACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-21-20(16-17-10-4-1-5-11-17)22(27)25(19-14-8-3-9-15-19)23(28)24(21)18-12-6-2-7-13-18/h1-16H.
What are the key properties of 5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 368.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-1,3-diphenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3104418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).