About 1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole (PubChem CID 161458696) has the molecular formula C63H42N2
and a molecular weight of 827.04 g/mol. Its IUPAC name is 1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole.
Molecular Properties
| Compound Name | 1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole |
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| PubChem CID | 161458696 |
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| Molecular Formula | C63H42N2 |
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| Molecular Weight | 827.04 g/mol |
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| Exact Mass | 826.33 |
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| IUPAC Name | 1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole |
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| SMILES | c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)cc(-c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc5)n4)cc3)cc2)cc1 |
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| InChI | InChI=1S/C63H42N2/c1-3-13-43(14-4-1)44-25-27-45(28-26-44)46-31-37-51(38-32-46)60-41-53(47-29-33-49(34-30-47)56-21-11-16-48-15-7-8-19-55(48)56)42-61(64-60)52-39-35-50(36-40-52)57-22-12-23-59-58-20-9-10-24-62(58)65(63(57)59)54-17-5-2-6-18-54/h1-42H |
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| InChIKey | SGODDXDKWCJBTQ-UHFFFAOYSA-N |
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| XLogP | 17.00 |
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| TPSA | 17.82 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 65 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 827.04 |
| LogP ≤ 5 | 17.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole (CID 161458696) is 1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)cc(-c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc5)n4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole?
The InChIKey is SGODDXDKWCJBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-3-13-43(14-4-1)44-25-27-45(28-26-44)46-31-37-51(38-32-46)60-41-53(47-29-33-49(34-30-47)56-21-11-16-48-15-7-8-19-55(48)56)42-61(64-60)52-39-35-50(36-40-52)57-22-12-23-59-58-20-9-10-24-62(58)65(63(57)59)54-17-5-2-6-18-54/h1-42H.
What are the key properties of 1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole?
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole has a molecular weight of 827.04 g/mol, XLogP of 17.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 161458696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).