5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione

C30H21IN2O4 — CID 126004185

IUPAC5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(=Cc2ccc(OCc3ccc(I)cc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C30H21IN2O4/c31-23-15-11-22(12-16-23)20-37-26-17-13-21(14-18-26)19-27-28(34)32(24-7-3-1-4-8-24)30(36)33(29(27)35)25-9-5-2-6-10-25/h1-19H,20H2
InChIKeyHGUZLZGBQBBNSE-UHFFFAOYSA-N
MW600.41 g/mol
LogP6.45
Rot. Bonds6

About 5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione

5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione (PubChem CID 126004185) has the molecular formula C30H21IN2O4 and a molecular weight of 600.41 g/mol. Its IUPAC name is 5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
PubChem CID126004185
Molecular FormulaC30H21IN2O4
Molecular Weight600.41 g/mol
Exact Mass600.05
IUPAC Name5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(=Cc2ccc(OCc3ccc(I)cc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C30H21IN2O4/c31-23-15-11-22(12-16-23)20-37-26-17-13-21(14-18-26)19-27-28(34)32(24-7-3-1-4-8-24)30(36)33(29(27)35)25-9-5-2-6-10-25/h1-19H,20H2
InChIKeyHGUZLZGBQBBNSE-UHFFFAOYSA-N
XLogP6.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.41
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-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

Related Compounds

(4E)-4-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 126004738
(5E)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-(methoxymethyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 21230196
(5E)-1-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1354902
1,3-dimethyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2261786
5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 126055158
propan-2-yl 2-[4-[(2,4,6-trioxo-1,3-diphenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate
CID 126193061
(4Z)-1-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 1021404
5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 124600632
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
methyl 1-(4-ethylphenyl)-2-methyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]pyrrole-3-carboxylate
CID 1283192
(4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 2248290
1-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 4290695

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione (CID 126004185) is 5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione is O=C1C(=Cc2ccc(OCc3ccc(I)cc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is HGUZLZGBQBBNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21IN2O4/c31-23-15-11-22(12-16-23)20-37-26-17-13-21(14-18-26)19-27-28(34)32(24-7-3-1-4-8-24)30(36)33(29(27)35)25-9-5-2-6-10-25/h1-19H,20H2.
What are the key properties of 5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 600.41 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 126004185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).