About 4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole
4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole (PubChem CID 161043516) has the molecular formula C40H38F2N2
and a molecular weight of 584.75 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole.
Molecular Properties
| Compound Name | 4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole |
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| PubChem CID | 161043516 |
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| Molecular Formula | C40H38F2N2 |
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| Molecular Weight | 584.75 g/mol |
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| Exact Mass | 584.30 |
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| IUPAC Name | 4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole |
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| SMILES | CC(C)Cc1ccc(C2=NC(C3=C(c4ccc(F)cc4)CC(c4ccc(CC(C)C)cc4)=N3)=C(c3ccc(F)cc3)C2)cc1 |
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| InChI | InChI=1S/C40H38F2N2/c1-25(2)21-27-5-9-31(10-6-27)37-23-35(29-13-17-33(41)18-14-29)39(43-37)40-36(30-15-19-34(42)20-16-30)24-38(44-40)32-11-7-28(8-12-32)22-26(3)4/h5-20,25-26H,21-24H2,1-4H3 |
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| InChIKey | WSVOSTHDJXAGSQ-UHFFFAOYSA-N |
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| XLogP | 10.27 |
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| TPSA | 24.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 584.75 |
| LogP ≤ 5 | 10.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole?
The IUPAC name of 4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole (CID 161043516) is 4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole?
The canonical SMILES for 4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole is CC(C)Cc1ccc(C2=NC(C3=C(c4ccc(F)cc4)CC(c4ccc(CC(C)C)cc4)=N3)=C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole?
The InChIKey is WSVOSTHDJXAGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38F2N2/c1-25(2)21-27-5-9-31(10-6-27)37-23-35(29-13-17-33(41)18-14-29)39(43-37)40-36(30-15-19-34(42)20-16-30)24-38(44-40)32-11-7-28(8-12-32)22-26(3)4/h5-20,25-26H,21-24H2,1-4H3.
What are the key properties of 4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole?
4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole has a molecular weight of 584.75 g/mol, XLogP of 10.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]-3H-pyrrole is sourced from PubChem (CID 161043516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).