About N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline (PubChem CID 138467560) 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]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline.
Molecular Properties
| Compound Name | N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline |
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| PubChem CID | 138467560 |
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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]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline |
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| SMILES | FC(F)(F)Oc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)cc1 |
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| InChI | InChI=1S/C55H37F3N2O/c56-55(57,58)61-50-35-27-43(28-36-50)42-23-31-47(32-24-42)59(46-29-21-41(22-30-46)40-19-17-39(18-20-40)38-9-2-1-3-10-38)48-33-25-44(26-34-48)45-11-8-12-49(37-45)60-53-15-6-4-13-51(53)52-14-5-7-16-54(52)60/h1-37H |
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| InChIKey | HIOCHFOROQWLAF-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]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline (CID 138467560) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline is FC(F)(F)Oc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline?
The InChIKey is HIOCHFOROQWLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37F3N2O/c56-55(57,58)61-50-35-27-43(28-36-50)42-23-31-47(32-24-42)59(46-29-21-41(22-30-46)40-19-17-39(18-20-40)38-9-2-1-3-10-38)48-33-25-44(26-34-48)45-11-8-12-49(37-45)60-53-15-6-4-13-51(53)52-14-5-7-16-54(52)60/h1-37H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]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]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline is sourced from PubChem (CID 138467560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).