About N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine (PubChem CID 169073737) has the molecular formula C53H34FN3S
and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine.
Molecular Properties
| Compound Name | N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine |
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| PubChem CID | 169073737 |
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| Molecular Formula | C53H34FN3S |
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| Molecular Weight | 763.94 g/mol |
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| Exact Mass | 763.25 |
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| IUPAC Name | N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine |
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| SMILES | Fc1ccc2c3ccccc3n(-c3cccc(-c4ccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc(-c6ccccc6)cn5)cc4)c3)c2c1 |
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| InChI | InChI=1S/C53H34FN3S/c54-40-25-30-46-45-14-4-6-18-49(45)57(50(46)33-40)43-13-8-12-38(32-43)36-20-26-41(27-21-36)56(52-31-24-39(34-55-52)35-10-2-1-3-11-35)42-28-22-37(23-29-42)44-16-9-17-48-47-15-5-7-19-51(47)58-53(44)48/h1-34H |
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| InChIKey | DTCWRHWOSBYZSQ-UHFFFAOYSA-N |
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| XLogP | 15.16 |
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| TPSA | 21.06 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 58 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 763.94 |
| LogP ≤ 5 | 15.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine (CID 169073737) is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine is Fc1ccc2c3ccccc3n(-c3cccc(-c4ccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc(-c6ccccc6)cn5)cc4)c3)c2c1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine?
The InChIKey is DTCWRHWOSBYZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34FN3S/c54-40-25-30-46-45-14-4-6-18-49(45)57(50(46)33-40)43-13-8-12-38(32-43)36-20-26-41(27-21-36)56(52-31-24-39(34-55-52)35-10-2-1-3-11-35)42-28-22-37(23-29-42)44-16-9-17-48-47-15-5-7-19-51(47)58-53(44)48/h1-34H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine has a molecular weight of 763.94 g/mol, XLogP of 15.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]-5-phenylpyridin-2-amine is sourced from PubChem (CID 169073737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).