About 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene (PubChem CID 59171833) has the molecular formula C36H24F2S2
and a molecular weight of 558.72 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene.
Molecular Properties
| Compound Name | 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene |
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| PubChem CID | 59171833 |
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| Molecular Formula | C36H24F2S2 |
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| Molecular Weight | 558.72 g/mol |
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| Exact Mass | 558.13 |
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| IUPAC Name | 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene |
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| SMILES | Fc1ccc(/C=C/c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C/c6ccc(F)cc6)cc5)s4)s3)cc2)cc1 |
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| InChI | InChI=1S/C36H24F2S2/c37-31-17-9-27(10-18-31)3-1-25-5-13-29(14-6-25)33-21-23-35(39-33)36-24-22-34(40-36)30-15-7-26(8-16-30)2-4-28-11-19-32(38)20-12-28/h1-24H/b3-1+,4-2+ |
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| InChIKey | FTEZXRXHJIURDL-ZPUQHVIOSA-N |
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| XLogP | 11.43 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 558.72 |
| LogP ≤ 5 | 11.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene (CID 59171833) is 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene is Fc1ccc(/C=C/c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C/c6ccc(F)cc6)cc5)s4)s3)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene?
The InChIKey is FTEZXRXHJIURDL-ZPUQHVIOSA-N. The full InChI is InChI=1S/C36H24F2S2/c37-31-17-9-27(10-18-31)3-1-25-5-13-29(14-6-25)33-21-23-35(39-33)36-24-22-34(40-36)30-15-7-26(8-16-30)2-4-28-11-19-32(38)20-12-28/h1-24H/b3-1+,4-2+.
What are the key properties of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene?
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene has a molecular weight of 558.72 g/mol, XLogP of 11.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 59171833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).