About 1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene
1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene (PubChem CID 144810159) has the molecular formula C24H17Br
and a molecular weight of 385.30 g/mol. Its IUPAC name is 1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene.
Molecular Properties
| Compound Name | 1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene |
| PubChem CID | 144810159 |
| Molecular Formula | C24H17Br |
| Molecular Weight | 385.30 g/mol |
| Exact Mass | 384.05 |
| IUPAC Name | 1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene |
| SMILES | Brc1ccc(/C=C(/c2ccccc2)c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C24H17Br/c25-21-15-13-18(14-16-21)17-24(20-7-2-1-3-8-20)23-12-6-10-19-9-4-5-11-22(19)23/h1-17H/b24-17- |
| InChIKey | RKCAAJDHVYCSRA-ULJHMMPZSA-N |
| XLogP | 7.19 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 3 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 385.30 |
| LogP ≤ 5 | 7.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene?
The IUPAC name of 1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene (CID 144810159) is 1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene.
What is the SMILES notation for 1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene?
The canonical SMILES for 1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene is Brc1ccc(/C=C(/c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene?
The InChIKey is RKCAAJDHVYCSRA-ULJHMMPZSA-N. The full InChI is InChI=1S/C24H17Br/c25-21-15-13-18(14-16-21)17-24(20-7-2-1-3-8-20)23-12-6-10-19-9-4-5-11-22(19)23/h1-17H/b24-17-.
What are the key properties of 1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene?
1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene has a molecular weight of 385.30 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene is sourced from PubChem (CID 144810159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).