About 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine (PubChem CID 134313271) has the molecular formula C68H45BrN4
and a molecular weight of 998.04 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine.
Molecular Properties
| Compound Name | 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine |
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| PubChem CID | 134313271 |
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| Molecular Formula | C68H45BrN4 |
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| Molecular Weight | 998.04 g/mol |
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| Exact Mass | 996.28 |
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| IUPAC Name | 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine |
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| SMILES | Brc1ccccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)c4)cn3)cn2)cc1 |
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| InChI | InChI=1S/C68H45BrN4/c69-64-26-14-13-25-63(64)46-27-29-49(30-28-46)67-38-34-53(45-73-67)68-37-33-52(44-72-68)59-21-9-12-24-62(59)56-40-54(60-22-10-7-19-57(60)50-31-35-65(70-42-50)47-15-3-1-4-16-47)39-55(41-56)61-23-11-8-20-58(61)51-32-36-66(71-43-51)48-17-5-2-6-18-48/h1-45H |
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| InChIKey | FTKBDOKADBRJOR-UHFFFAOYSA-N |
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| XLogP | 18.37 |
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| TPSA | 51.56 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 73 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 998.04 |
| LogP ≤ 5 | 18.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine (CID 134313271) is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine is Brc1ccccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)c4)cn3)cn2)cc1.
What is the InChIKey of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine?
The InChIKey is FTKBDOKADBRJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45BrN4/c69-64-26-14-13-25-63(64)46-27-29-49(30-28-46)67-38-34-53(45-73-67)68-37-33-52(44-72-68)59-21-9-12-24-62(59)56-40-54(60-22-10-7-19-57(60)50-31-35-65(70-42-50)47-15-3-1-4-16-47)39-55(41-56)61-23-11-8-20-58(61)51-32-36-66(71-43-51)48-17-5-2-6-18-48/h1-45H.
What are the key properties of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine?
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine has a molecular weight of 998.04 g/mol, XLogP of 18.37, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine is sourced from PubChem (CID 134313271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).