(2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione

C32H29NO3 — CID 24813629

IUPAC(2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
SMILESCCc1ccc(/C=C2\CC3(C/C(=C\c4ccc(CC)cc4)C(=O)c4ccccc43)C(=O)NC2=O)cc1
InChIInChI=1S/C32H29NO3/c1-3-21-9-13-23(14-10-21)17-25-19-32(28-8-6-5-7-27(28)29(25)34)20-26(30(35)33-31(32)36)18-24-15-11-22(4-2)12-16-24/h5-18H,3-4,19-20H2,1-2H3,(H,33,35,36)/b25-17+,26-18+
InChIKeyOIOFVGPGBITKQP-RPCRKUJJSA-N
MW475.59 g/mol
LogP5.85
Rot. Bonds4

About (2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione

(2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione (PubChem CID 24813629) has the molecular formula C32H29NO3 and a molecular weight of 475.59 g/mol. Its IUPAC name is (2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione.

Molecular Properties

Compound Name(2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
PubChem CID24813629
Molecular FormulaC32H29NO3
Molecular Weight475.59 g/mol
Exact Mass475.21
IUPAC Name(2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
SMILESCCc1ccc(/C=C2\CC3(C/C(=C\c4ccc(CC)cc4)C(=O)c4ccccc43)C(=O)NC2=O)cc1
InChIInChI=1S/C32H29NO3/c1-3-21-9-13-23(14-10-21)17-25-19-32(28-8-6-5-7-27(28)29(25)34)20-26(30(35)33-31(32)36)18-24-15-11-22(4-2)12-16-24/h5-18H,3-4,19-20H2,1-2H3,(H,33,35,36)/b25-17+,26-18+
InChIKeyOIOFVGPGBITKQP-RPCRKUJJSA-N
XLogP5.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.85
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'}

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Related Compounds

(2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
CID 24813481
(2Z)-2-[(4-ethylphenyl)methylidene]-3H-inden-1-one
CID 2697157
(3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one
CID 118029438
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione
CID 44725575
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477
(3Z,5Z)-1-ethyl-3,5-bis[(4-ethylphenyl)methylidene]piperidin-1-ium-4-one
CID 2393132
3-(4-ethylphenyl)-3-methyl-2H-inden-1-one
CID 132519091
(2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one
CID 122707370
7-[(4-ethylphenyl)methylidene]-8-oxo-5,6-dihydronaphthalene-2-carboxylic acid
CID 175422917
(5Z)-2-(2-ethylphenyl)imino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135421075
(2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
CID 102535373

Frequently Asked Questions

What is the IUPAC name of (2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione?
The IUPAC name of (2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione (CID 24813629) is (2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione.
What is the SMILES notation for (2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione?
The canonical SMILES for (2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione is CCc1ccc(/C=C2\CC3(C/C(=C\c4ccc(CC)cc4)C(=O)c4ccccc43)C(=O)NC2=O)cc1.
What is the InChIKey of (2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione?
The InChIKey is OIOFVGPGBITKQP-RPCRKUJJSA-N. The full InChI is InChI=1S/C32H29NO3/c1-3-21-9-13-23(14-10-21)17-25-19-32(28-8-6-5-7-27(28)29(25)34)20-26(30(35)33-31(32)36)18-24-15-11-22(4-2)12-16-24/h5-18H,3-4,19-20H2,1-2H3,(H,33,35,36)/b25-17+,26-18+.
What are the key properties of (2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione?
(2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione has a molecular weight of 475.59 g/mol, XLogP of 5.85, 4 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'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione is sourced from PubChem (CID 24813629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).