About 1-bromo-4-(1,2,2-triphenylethenyl)benzene
1-bromo-4-(1,2,2-triphenylethenyl)benzene (PubChem CID 24882208) has the molecular formula C26H19Br
and a molecular weight of 411.34 g/mol. Its IUPAC name is 1-bromo-4-(1,2,2-triphenylethenyl)benzene.
Molecular Properties
| Compound Name | 1-bromo-4-(1,2,2-triphenylethenyl)benzene |
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| PubChem CID | 24882208 |
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| Molecular Formula | C26H19Br |
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| Molecular Weight | 411.34 g/mol |
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| Exact Mass | 410.07 |
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| IUPAC Name | 1-bromo-4-(1,2,2-triphenylethenyl)benzene |
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| SMILES | Brc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
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| InChI | InChI=1S/C26H19Br/c27-24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19H |
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| InChIKey | MYJLJYSALGARCM-UHFFFAOYSA-N |
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| XLogP | 7.46 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 411.34 |
| LogP ≤ 5 | 7.46 |
| 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-bromo-4-(1,2,2-triphenylethenyl)benzene?
The IUPAC name of 1-bromo-4-(1,2,2-triphenylethenyl)benzene (CID 24882208) is 1-bromo-4-(1,2,2-triphenylethenyl)benzene.
What is the SMILES notation for 1-bromo-4-(1,2,2-triphenylethenyl)benzene?
The canonical SMILES for 1-bromo-4-(1,2,2-triphenylethenyl)benzene is Brc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-(1,2,2-triphenylethenyl)benzene?
The InChIKey is MYJLJYSALGARCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Br/c27-24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19H.
What are the key properties of 1-bromo-4-(1,2,2-triphenylethenyl)benzene?
1-bromo-4-(1,2,2-triphenylethenyl)benzene has a molecular weight of 411.34 g/mol, XLogP of 7.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1,2,2-triphenylethenyl)benzene is sourced from PubChem (CID 24882208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).