About 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine
4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine (PubChem CID 88557857) has the molecular formula C66H44N6
and a molecular weight of 921.12 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine.
Molecular Properties
| Compound Name | 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine |
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| PubChem CID | 88557857 |
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| Molecular Formula | C66H44N6 |
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| Molecular Weight | 921.12 g/mol |
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| Exact Mass | 920.36 |
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| IUPAC Name | 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine |
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| SMILES | c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)nc(-c4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)cc(-c7ccc(-c8ccccn8)cc7)n6)cc5)cc4)n3)cc2)cc1 |
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| InChI | InChI=1S/C66H44N6/c1-3-11-45(12-4-1)47-17-25-53(26-18-47)61-43-63(55-33-29-51(30-34-55)59-15-7-9-41-67-59)71-65(69-61)57-37-21-49(22-38-57)50-23-39-58(40-24-50)66-70-62(54-27-19-48(20-28-54)46-13-5-2-6-14-46)44-64(72-66)56-35-31-52(32-36-56)60-16-8-10-42-68-60/h1-44H |
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| InChIKey | DPYRYBHNXZMILH-UHFFFAOYSA-N |
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| XLogP | 16.39 |
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| TPSA | 77.34 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 72 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 921.12 |
| LogP ≤ 5 | 16.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine (CID 88557857) is 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)nc(-c4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)cc(-c7ccc(-c8ccccn8)cc7)n6)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is DPYRYBHNXZMILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N6/c1-3-11-45(12-4-1)47-17-25-53(26-18-47)61-43-63(55-33-29-51(30-34-55)59-15-7-9-41-67-59)71-65(69-61)57-37-21-49(22-38-57)50-23-39-58(40-24-50)66-70-62(54-27-19-48(20-28-54)46-13-5-2-6-14-46)44-64(72-66)56-35-31-52(32-36-56)60-16-8-10-42-68-60/h1-44H.
What are the key properties of 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine?
4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 921.12 g/mol, XLogP of 16.39, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 88557857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).