1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione

C23H18N2O2 — CID 5469828

IUPAC1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione
SMILESO=C1CC(=O)N(c2ccccc2)N1/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O2/c26-22-17-23(27)25(24(22)20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1-16H,17H2/b21-16+
InChIKeyCJSGWAAGUVCPFG-LTGZKZEYSA-N
MW354.41 g/mol
LogP4.37
Rot. Bonds4

About 1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione

1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione (PubChem CID 5469828) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione
PubChem CID5469828
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione
SMILESO=C1CC(=O)N(c2ccccc2)N1/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O2/c26-22-17-23(27)25(24(22)20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1-16H,17H2/b21-16+
InChIKeyCJSGWAAGUVCPFG-LTGZKZEYSA-N
XLogP4.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione?
The IUPAC name of 1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione (CID 5469828) is 1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione.
What is the SMILES notation for 1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione?
The canonical SMILES for 1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione is O=C1CC(=O)N(c2ccccc2)N1/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione?
The InChIKey is CJSGWAAGUVCPFG-LTGZKZEYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-22-17-23(27)25(24(22)20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1-16H,17H2/b21-16+.
What are the key properties of 1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione?
1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione has a molecular weight of 354.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione is sourced from PubChem (CID 5469828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).