About [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone
[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone (PubChem CID 158497224) has the molecular formula C42H26F2N2O3S2
and a molecular weight of 708.81 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone.
Molecular Properties
| Compound Name | [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone |
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| PubChem CID | 158497224 |
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| Molecular Formula | C42H26F2N2O3S2 |
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| Molecular Weight | 708.81 g/mol |
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| Exact Mass | 708.14 |
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| IUPAC Name | [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone |
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| SMILES | O=C(c1ccccc1)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.O=C(c1ccco1)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1 |
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| InChI | InChI=1S/C22H14FNOS.C20H12FNO2S/c23-18-8-6-17(7-9-18)22-19(15-10-12-24-13-11-15)14-20(26-22)21(25)16-4-2-1-3-5-16;21-15-5-3-14(4-6-15)20-16(13-7-9-22-10-8-13)12-18(25-20)19(23)17-2-1-11-24-17/h1-14H;1-12H |
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| InChIKey | HJLFSRMOTJLTLZ-UHFFFAOYSA-N |
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| XLogP | 11.29 |
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| TPSA | 73.06 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 51 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 708.81 |
| LogP ≤ 5 | 11.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone?
The IUPAC name of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone (CID 158497224) is [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone?
The canonical SMILES for [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone is O=C(c1ccccc1)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.O=C(c1ccco1)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone?
The InChIKey is HJLFSRMOTJLTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNOS.C20H12FNO2S/c23-18-8-6-17(7-9-18)22-19(15-10-12-24-13-11-15)14-20(26-22)21(25)16-4-2-1-3-5-16;21-15-5-3-14(4-6-15)20-16(13-7-9-22-10-8-13)12-18(25-20)19(23)17-2-1-11-24-17/h1-14H;1-12H.
What are the key properties of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone?
[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone has a molecular weight of 708.81 g/mol, XLogP of 11.29, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 158497224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).