About 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine
5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine (PubChem CID 122487918) has the molecular formula C64H43FN2
and a molecular weight of 859.06 g/mol. Its IUPAC name is 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine.
Molecular Properties
| Compound Name | 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine |
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| PubChem CID | 122487918 |
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| Molecular Formula | C64H43FN2 |
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| Molecular Weight | 859.06 g/mol |
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| Exact Mass | 858.34 |
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| IUPAC Name | 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine |
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| SMILES | Fc1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)c2)cc1 |
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| InChI | InChI=1S/C64H43FN2/c65-52-35-33-46(34-36-52)53-27-13-14-28-54(53)49-37-50(55-29-15-17-31-57(55)61-42-66-63(47-23-9-3-10-24-47)40-59(61)44-19-5-1-6-20-44)39-51(38-49)56-30-16-18-32-58(56)62-43-67-64(48-25-11-4-12-26-48)41-60(62)45-21-7-2-8-22-45/h1-43H |
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| InChIKey | KCMBCDORVNJOCS-UHFFFAOYSA-N |
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| XLogP | 17.29 |
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| TPSA | 25.78 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 67 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 859.06 |
| LogP ≤ 5 | 17.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine?
The IUPAC name of 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine (CID 122487918) is 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine.
What is the SMILES notation for 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine?
The canonical SMILES for 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine is Fc1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)cc(-c3ccccc3-c3cnc(-c4ccccc4)cc3-c3ccccc3)c2)cc1.
What is the InChIKey of 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine?
The InChIKey is KCMBCDORVNJOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43FN2/c65-52-35-33-46(34-36-52)53-27-13-14-28-54(53)49-37-50(55-29-15-17-31-57(55)61-42-66-63(47-23-9-3-10-24-47)40-59(61)44-19-5-1-6-20-44)39-51(38-49)56-30-16-18-32-58(56)62-43-67-64(48-25-11-4-12-26-48)41-60(62)45-21-7-2-8-22-45/h1-43H.
What are the key properties of 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine?
5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine has a molecular weight of 859.06 g/mol, XLogP of 17.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine is sourced from PubChem (CID 122487918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).