About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline (PubChem CID 138467852) has the molecular formula C55H37F3N2O
and a molecular weight of 798.91 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline.
Molecular Properties
| Compound Name | N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline |
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| PubChem CID | 138467852 |
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| Molecular Formula | C55H37F3N2O |
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| Molecular Weight | 798.91 g/mol |
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| Exact Mass | 798.29 |
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| IUPAC Name | N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline |
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| SMILES | FC(F)(F)Oc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)cc1 |
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| InChI | InChI=1S/C55H37F3N2O/c56-55(57,58)61-50-34-26-40(27-35-50)39-20-28-46(29-21-39)59(47-30-22-41(23-31-47)44-13-8-12-43(36-44)38-10-2-1-3-11-38)48-32-24-42(25-33-48)45-14-9-15-49(37-45)60-53-18-6-4-16-51(53)52-17-5-7-19-54(52)60/h1-37H |
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| InChIKey | UBULUXNGDMOESR-UHFFFAOYSA-N |
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| XLogP | 15.82 |
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| TPSA | 17.40 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 61 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 798.91 |
| LogP ≤ 5 | 15.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline (CID 138467852) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline is FC(F)(F)Oc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline?
The InChIKey is UBULUXNGDMOESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37F3N2O/c56-55(57,58)61-50-34-26-40(27-35-50)39-20-28-46(29-21-39)59(47-30-22-41(23-31-47)44-13-8-12-43(36-44)38-10-2-1-3-11-38)48-32-24-42(25-33-48)45-14-9-15-49(37-45)60-53-18-6-4-16-51(53)52-17-5-7-19-54(52)60/h1-37H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline has a molecular weight of 798.91 g/mol, XLogP of 15.82, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 138467852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).