About N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 90195086) has the molecular formula C59H37FN4S
and a molecular weight of 853.04 g/mol. Its IUPAC name is N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine.
Molecular Properties
| Compound Name | N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine |
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| PubChem CID | 90195086 |
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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-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine |
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| SMILES | Fc1cccnc1-n1c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)cc3)cc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12 |
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| InChI | InChI=1S/C59H37FN4S/c60-51-18-11-35-61-59(51)64-53-33-25-41(36-50(53)57-54(64)34-32-49-46-16-7-9-19-52(46)63(58(49)57)42-14-5-2-6-15-42)40-23-28-44(29-24-40)62(43-26-21-39(22-27-43)38-12-3-1-4-13-38)45-30-31-48-47-17-8-10-20-55(47)65-56(48)37-45/h1-37H |
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| InChIKey | MFMIGQMTWRIGIA-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-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 90195086) is N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine is Fc1cccnc1-n1c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)cc3)cc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is MFMIGQMTWRIGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37FN4S/c60-51-18-11-35-61-59(51)64-53-33-25-41(36-50(53)57-54(64)34-32-49-46-16-7-9-19-52(46)63(58(49)57)42-14-5-2-6-15-42)40-23-28-44(29-24-40)62(43-26-21-39(22-27-43)38-12-3-1-4-13-38)45-30-31-48-47-17-8-10-20-55(47)65-56(48)37-45/h1-37H.
What are the key properties of N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]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-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 90195086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).