3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one

C23H15NO4 — CID 2936939

IUPAC3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one
SMILESO=C1OC(c2ccc(-c3ccccc3)cc2)=CC1=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H15NO4/c25-23-20(14-16-6-12-21(13-7-16)24(26)27)15-22(28-23)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-15H
InChIKeyPHOZYHWBYVNQFS-UHFFFAOYSA-N
MW369.38 g/mol
LogP5.24
Rot. Bonds4

About 3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one

3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one (PubChem CID 2936939) has the molecular formula C23H15NO4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one.

Molecular Properties

Compound Name3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one
PubChem CID2936939
Molecular FormulaC23H15NO4
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one
SMILESO=C1OC(c2ccc(-c3ccccc3)cc2)=CC1=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H15NO4/c25-23-20(14-16-6-12-21(13-7-16)24(26)27)15-22(28-23)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-15H
InChIKeyPHOZYHWBYVNQFS-UHFFFAOYSA-N
XLogP5.24
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 55.24
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'}

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Related Compounds

(3E)-5-(4-methylphenyl)-3-[(4-nitrophenyl)methylidene]furan-2-one
CID 2258126
(3E)-5-naphthalen-2-yl-3-[(4-nitrophenyl)methylidene]furan-2-one
CID 155542348
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
(3E)-3-[(3-nitrophenyl)methylidene]-5-phenylfuran-2-one
CID 2253200
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
5-(4-methylphenyl)-3-[(3-nitrophenyl)methylidene]furan-2-one
CID 867798
5-(2,4-dimethylphenyl)-3-[(4-nitrophenyl)methylidene]furan-2-one
CID 890303
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(4-phenylphenyl)furan-2-one
CID 10861529
(3E)-3-[(4-methyl-3-nitrophenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 2263986
(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 126059878
3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one?
The IUPAC name of 3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one (CID 2936939) is 3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one.
What is the SMILES notation for 3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one?
The canonical SMILES for 3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one is O=C1OC(c2ccc(-c3ccccc3)cc2)=CC1=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one?
The InChIKey is PHOZYHWBYVNQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO4/c25-23-20(14-16-6-12-21(13-7-16)24(26)27)15-22(28-23)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-15H.
What are the key properties of 3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one?
3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one has a molecular weight of 369.38 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one is sourced from PubChem (CID 2936939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).