5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione

C25H16N2O3 — CID 3365433

IUPAC5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C25H16N2O3/c28-23-22(24(29)27(25(30)26-23)18-10-2-1-3-11-18)15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-15H,(H,26,28,30)
InChIKeyOKJWTOBUUJGNRU-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.66
Rot. Bonds2

About 5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione

5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 3365433) has the molecular formula C25H16N2O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is 5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID3365433
Molecular FormulaC25H16N2O3
Molecular Weight392.41 g/mol
Exact Mass392.12
IUPAC Name5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C25H16N2O3/c28-23-22(24(29)27(25(30)26-23)18-10-2-1-3-11-18)15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-15H,(H,26,28,30)
InChIKeyOKJWTOBUUJGNRU-UHFFFAOYSA-N
XLogP4.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione (CID 3365433) is 5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is OKJWTOBUUJGNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O3/c28-23-22(24(29)27(25(30)26-23)18-10-2-1-3-11-18)15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-15H,(H,26,28,30).
What are the key properties of 5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 392.41 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(anthracen-9-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3365433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).