(2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione

C28H21NO3 — CID 24813481

IUPAC(2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
SMILESO=C1NC(=O)C2(C/C1=C\c1ccccc1)C/C(=C\c1ccccc1)C(=O)c1ccccc12
InChIInChI=1S/C28H21NO3/c30-25-21(15-19-9-3-1-4-10-19)17-28(24-14-8-7-13-23(24)25)18-22(26(31)29-27(28)32)16-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,29,31,32)/b21-15+,22-16+
InChIKeyJJMXQTRTLGSSOU-YHARCJFQSA-N
MW419.48 g/mol
LogP4.72
Rot. Bonds2

About (2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione

(2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione (PubChem CID 24813481) has the molecular formula C28H21NO3 and a molecular weight of 419.48 g/mol. Its IUPAC name is (2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione.

Molecular Properties

Compound Name(2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
PubChem CID24813481
Molecular FormulaC28H21NO3
Molecular Weight419.48 g/mol
Exact Mass419.15
IUPAC Name(2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
SMILESO=C1NC(=O)C2(C/C1=C\c1ccccc1)C/C(=C\c1ccccc1)C(=O)c1ccccc12
InChIInChI=1S/C28H21NO3/c30-25-21(15-19-9-3-1-4-10-19)17-28(24-14-8-7-13-23(24)25)18-22(26(31)29-27(28)32)16-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,29,31,32)/b21-15+,22-16+
InChIKeyJJMXQTRTLGSSOU-YHARCJFQSA-N
XLogP4.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',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

(2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
CID 24813629
spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione
CID 44725575
(4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione
CID 50990375
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one
CID 6251160
spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione
CID 10263233
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
CID 6374106
(2E)-4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one
CID 15618567
(3Z)-3-benzylidene-5,5-bis(but-3-en-2-yl)pyrrolidin-2-one
CID 102283532
3,5-dibenzylidene-1-butylpiperidin-4-one
CID 54431976
(2E,8E)-2,8-dibenzylidenecyclooctan-1-one
CID 6439695

Frequently Asked Questions

What is the IUPAC name of (2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione?
The IUPAC name of (2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione (CID 24813481) is (2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione.
What is the SMILES notation for (2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione?
The canonical SMILES for (2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione is O=C1NC(=O)C2(C/C1=C\c1ccccc1)C/C(=C\c1ccccc1)C(=O)c1ccccc12.
What is the InChIKey of (2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione?
The InChIKey is JJMXQTRTLGSSOU-YHARCJFQSA-N. The full InChI is InChI=1S/C28H21NO3/c30-25-21(15-19-9-3-1-4-10-19)17-28(24-14-8-7-13-23(24)25)18-22(26(31)29-27(28)32)16-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,29,31,32)/b21-15+,22-16+.
What are the key properties of (2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione?
(2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione has a molecular weight of 419.48 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione is sourced from PubChem (CID 24813481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).