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

C26H18N2O4 — CID 5098609

IUPAC5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)C(=O)N1
InChIInChI=1S/C26H18N2O4/c29-24-22(25(30)28-26(31)27-24)14-21-20-11-4-2-7-17(20)12-13-23(21)32-15-18-9-5-8-16-6-1-3-10-19(16)18/h1-14H,15H2,(H2,27,28,29,30,31)
InChIKeyCOYOQVYPYPENII-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.32
Rot. Bonds4

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

5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 5098609) has the molecular formula C26H18N2O4 and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID5098609
Molecular FormulaC26H18N2O4
Molecular Weight422.44 g/mol
Exact Mass422.13
IUPAC Name5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)C(=O)N1
InChIInChI=1S/C26H18N2O4/c29-24-22(25(30)28-26(31)27-24)14-21-20-11-4-2-7-17(20)12-13-23(21)32-15-18-9-5-8-16-6-1-3-10-19(16)18/h1-14H,15H2,(H2,27,28,29,30,31)
InChIKeyCOYOQVYPYPENII-UHFFFAOYSA-N
XLogP4.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
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'}

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Related Compounds

(5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 22777923
2-[[1-[(E)-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
CID 21378017
1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
CID 126215170
2-tert-butyl-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-methyl-1,3-dioxane-4,6-dione
CID 5061999
(4Z)-1-phenyl-4-[(2-phenylmethoxynaphthalen-1-yl)methylidene]pyrazolidine-3,5-dione
CID 126403066
2-[[1-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
CID 6061470
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
CID 126215977
(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1238668
(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21377441
(3E)-5-chloro-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1H-indol-2-one
CID 7947115
5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2900460
(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21377610

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione (CID 5098609) is 5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)C(=O)N1.
What is the InChIKey of 5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is COYOQVYPYPENII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O4/c29-24-22(25(30)28-26(31)27-24)14-21-20-11-4-2-7-17(20)12-13-23(21)32-15-18-9-5-8-16-6-1-3-10-19(16)18/h1-14H,15H2,(H2,27,28,29,30,31).
What are the key properties of 5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione?
5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 422.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 5098609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).