About N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 90195092) has the molecular formula C59H37FN4S
and a molecular weight of 853.04 g/mol. Its IUPAC name is N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine.
Molecular Properties
| Compound Name | N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine |
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| PubChem CID | 90195092 |
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| Molecular Formula | C59H37FN4S |
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| Molecular Weight | 853.04 g/mol |
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| Exact Mass | 852.27 |
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| IUPAC Name | N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine |
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| SMILES | Fc1cncc(-n2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)sc5ccccc56)cc4)cc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c1 |
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| InChI | InChI=1S/C59H37FN4S/c60-42-32-47(37-61-36-42)64-55-30-23-41(31-51(55)53-35-56-52(34-57(53)64)48-15-7-9-17-54(48)63(56)43-13-5-2-6-14-43)40-21-26-45(27-22-40)62(44-24-19-39(20-25-44)38-11-3-1-4-12-38)46-28-29-50-49-16-8-10-18-58(49)65-59(50)33-46/h1-37H |
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| InChIKey | UNLNKMGREFMYAD-UHFFFAOYSA-N |
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| XLogP | 16.59 |
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| TPSA | 25.99 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 65 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 853.04 |
| LogP ≤ 5 | 16.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 90195092) is N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine is Fc1cncc(-n2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)sc5ccccc56)cc4)cc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c1.
What is the InChIKey of N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is UNLNKMGREFMYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37FN4S/c60-42-32-47(37-61-36-42)64-55-30-23-41(31-51(55)53-35-56-52(34-57(53)64)48-15-7-9-17-54(48)63(56)43-13-5-2-6-14-43)40-21-26-45(27-22-40)62(44-24-19-39(20-25-44)38-11-3-1-4-12-38)46-28-29-50-49-16-8-10-18-58(49)65-59(50)33-46/h1-37H.
What are the key properties of N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 853.04 g/mol, XLogP of 16.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 90195092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).