(5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione

C28H20N2O4 — CID 94849110

IUPAC(5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione
SMILESCc1cccc(N2C(=O)/C(=C\c3ccc(O)cc3)C(=O)N(c3cccc4ccccc34)C2=O)c1
InChIInChI=1S/C28H20N2O4/c1-18-6-4-9-21(16-18)29-26(32)24(17-19-12-14-22(31)15-13-19)27(33)30(28(29)34)25-11-5-8-20-7-2-3-10-23(20)25/h2-17,31H,1H3/b24-17+
InChIKeyXDAFGLONLICQKX-JJIBRWJFSA-N
MW448.48 g/mol
LogP5.44
Rot. Bonds3

About (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione

(5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione (PubChem CID 94849110) has the molecular formula C28H20N2O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione
PubChem CID94849110
Molecular FormulaC28H20N2O4
Molecular Weight448.48 g/mol
Exact Mass448.14
IUPAC Name(5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione
SMILESCc1cccc(N2C(=O)/C(=C\c3ccc(O)cc3)C(=O)N(c3cccc4ccccc34)C2=O)c1
InChIInChI=1S/C28H20N2O4/c1-18-6-4-9-21(16-18)29-26(32)24(17-19-12-14-22(31)15-13-19)27(33)30(28(29)34)25-11-5-8-20-7-2-3-10-23(20)25/h2-17,31H,1H3/b24-17+
InChIKeyXDAFGLONLICQKX-JJIBRWJFSA-N
XLogP5.44
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-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 (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione (CID 94849110) is (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione is Cc1cccc(N2C(=O)/C(=C\c3ccc(O)cc3)C(=O)N(c3cccc4ccccc34)C2=O)c1.
What is the InChIKey of (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is XDAFGLONLICQKX-JJIBRWJFSA-N. The full InChI is InChI=1S/C28H20N2O4/c1-18-6-4-9-21(16-18)29-26(32)24(17-19-12-14-22(31)15-13-19)27(33)30(28(29)34)25-11-5-8-20-7-2-3-10-23(20)25/h2-17,31H,1H3/b24-17+.
What are the key properties of (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione?
(5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 448.48 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 94849110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).