About 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine (PubChem CID 148872624) has the molecular formula C81H55N3
and a molecular weight of 1070.35 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine.
Molecular Properties
| Compound Name | 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine |
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| PubChem CID | 148872624 |
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| Molecular Formula | C81H55N3 |
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| Molecular Weight | 1070.35 g/mol |
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| Exact Mass | 1069.44 |
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| IUPAC Name | 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine |
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| SMILES | c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)ccn4)ccc3-c3cc(-c4ccccc4)ccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)cc1 |
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| InChI | InChI=1S/C81H55N3/c1-4-18-56(19-5-1)59-30-32-62(33-31-59)77-54-67(81-55-66(46-49-84-81)58-22-8-3-9-23-58)43-45-76(77)78-53-65(57-20-6-2-7-21-57)42-44-75(78)70-51-68(73-26-12-10-24-71(73)60-34-38-63(39-35-60)79-28-14-16-47-82-79)50-69(52-70)74-27-13-11-25-72(74)61-36-40-64(41-37-61)80-29-15-17-48-83-80/h1-55H |
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| InChIKey | ZAQMBKMCRHZDBD-UHFFFAOYSA-N |
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| XLogP | 21.54 |
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| TPSA | 38.67 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 84 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1070.35 |
| LogP ≤ 5 | 21.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine (CID 148872624) is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine is c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)ccn4)ccc3-c3cc(-c4ccccc4)ccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)cc1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine?
The InChIKey is ZAQMBKMCRHZDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H55N3/c1-4-18-56(19-5-1)59-30-32-62(33-31-59)77-54-67(81-55-66(46-49-84-81)58-22-8-3-9-23-58)43-45-76(77)78-53-65(57-20-6-2-7-21-57)42-44-75(78)70-51-68(73-26-12-10-24-71(73)60-34-38-63(39-35-60)79-28-14-16-47-82-79)50-69(52-70)74-27-13-11-25-72(74)61-36-40-64(41-37-61)80-29-15-17-48-83-80/h1-55H.
What are the key properties of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine?
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine has a molecular weight of 1070.35 g/mol, XLogP of 21.54, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine is sourced from PubChem (CID 148872624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).