About 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide
4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide (PubChem CID 174466684) has the molecular formula C27H22N2O
and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide.
Molecular Properties
| Compound Name | 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide |
| PubChem CID | 174466684 |
| Molecular Formula | C27H22N2O |
| Molecular Weight | 390.49 g/mol |
| Exact Mass | 390.17 |
| IUPAC Name | 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide |
| SMILES | NNC(=O)c1ccc(-c2ccccc2C=Cc2ccccc2-c2ccccc2)cc1 |
| InChI | InChI=1S/C27H22N2O/c28-29-27(30)24-18-16-23(17-19-24)26-13-7-5-11-22(26)15-14-21-10-4-6-12-25(21)20-8-2-1-3-9-20/h1-19H,28H2,(H,29,30) |
| InChIKey | AWGGLLOMSJKVBW-UHFFFAOYSA-N |
| XLogP | 5.79 |
| TPSA | 55.12 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 30 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 390.49 |
| LogP ≤ 5 | 5.79 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide?
The IUPAC name of 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide (CID 174466684) is 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide.
What is the SMILES notation for 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide?
The canonical SMILES for 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide is NNC(=O)c1ccc(-c2ccccc2C=Cc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide?
The InChIKey is AWGGLLOMSJKVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c28-29-27(30)24-18-16-23(17-19-24)26-13-7-5-11-22(26)15-14-21-10-4-6-12-25(21)20-8-2-1-3-9-20/h1-19H,28H2,(H,29,30).
What are the key properties of 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide?
4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide has a molecular weight of 390.49 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide is sourced from PubChem (CID 174466684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).