1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one

C31H20N2O4 — CID 3586020

IUPAC1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
SMILESO=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc2ccccc2c1
InChIInChI=1S/C31H20N2O4/c34-31-25(19-28-16-17-30(37-28)23-11-13-26(14-12-23)33(35)36)20-29(22-7-2-1-3-8-22)32(31)27-15-10-21-6-4-5-9-24(21)18-27/h1-20H
InChIKeyIHGXYENLXIGNLP-UHFFFAOYSA-N
MW484.51 g/mol
LogP7.48
Rot. Bonds5

About 1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one

1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one (PubChem CID 3586020) has the molecular formula C31H20N2O4 and a molecular weight of 484.51 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
PubChem CID3586020
Molecular FormulaC31H20N2O4
Molecular Weight484.51 g/mol
Exact Mass484.14
IUPAC Name1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
SMILESO=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc2ccccc2c1
InChIInChI=1S/C31H20N2O4/c34-31-25(19-28-16-17-30(37-28)23-11-13-26(14-12-23)33(35)36)20-29(22-7-2-1-3-8-22)32(31)27-15-10-21-6-4-5-9-24(21)18-27/h1-20H
InChIKeyIHGXYENLXIGNLP-UHFFFAOYSA-N
XLogP7.48
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.51
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one 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

(3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
CID 6513184
(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-[4-(4-nitrophenyl)sulfanylphenyl]-5-phenylpyrrol-2-one
CID 6044498
3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(3-hydroxyphenyl)-5-phenylpyrrol-2-one
CID 3123641
3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one
CID 3115699
3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one
CID 175310610
3-[3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
CID 3123639
(5E)-3-(4-nitrophenyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50872849
2-hydroxy-5-[3-[(4-nitrophenyl)methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
CID 6617588
2-chloro-5-[3-[(4-nitrophenyl)methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
CID 6617568
ethyl 4-[5-[[2-oxo-5-phenyl-1-(4-phenylphenyl)pyrrol-3-ylidene]methyl]furan-2-yl]benzoate
CID 3115734
(5E)-3-(3-methylphenyl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18836750
(5Z)-3-(4-methoxyphenyl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5433663

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one?
The IUPAC name of 1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one (CID 3586020) is 1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one.
What is the SMILES notation for 1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one?
The canonical SMILES for 1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one is O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one?
The InChIKey is IHGXYENLXIGNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O4/c34-31-25(19-28-16-17-30(37-28)23-11-13-26(14-12-23)33(35)36)20-29(22-7-2-1-3-8-22)32(31)27-15-10-21-6-4-5-9-24(21)18-27/h1-20H.
What are the key properties of 1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one?
1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one has a molecular weight of 484.51 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one is sourced from PubChem (CID 3586020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).