About (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone
(2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone (PubChem CID 6246075) has the molecular formula C23H18N2O
and a molecular weight of 338.41 g/mol. Its IUPAC name is (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone.
Molecular Properties
| Compound Name | (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone |
| PubChem CID | 6246075 |
| Molecular Formula | C23H18N2O |
| Molecular Weight | 338.41 g/mol |
| Exact Mass | 338.14 |
| IUPAC Name | (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone |
| SMILES | O=C(/C(=N\N=C/C=C/c1ccccc1)c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H18N2O/c26-23(21-16-8-3-9-17-21)22(20-14-6-2-7-15-20)25-24-18-10-13-19-11-4-1-5-12-19/h1-18H/b13-10+,24-18-,25-22- |
| InChIKey | PVXHDGCGWDYKFC-LHXBTUDVSA-N |
| XLogP | 5.06 |
| TPSA | 41.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 338.41 |
| LogP ≤ 5 | 5.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone?
The IUPAC name of (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone (CID 6246075) is (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone.
What is the SMILES notation for (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone?
The canonical SMILES for (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone is O=C(/C(=N\N=C/C=C/c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone?
The InChIKey is PVXHDGCGWDYKFC-LHXBTUDVSA-N. The full InChI is InChI=1S/C23H18N2O/c26-23(21-16-8-3-9-17-21)22(20-14-6-2-7-15-20)25-24-18-10-13-19-11-4-1-5-12-19/h1-18H/b13-10+,24-18-,25-22-.
What are the key properties of (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone?
(2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone has a molecular weight of 338.41 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone is sourced from PubChem (CID 6246075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).