About 9-thiophen-3-ylcarbazole
9-thiophen-3-ylcarbazole (PubChem CID 101439489) has the molecular formula C16H11NS
and a molecular weight of 249.34 g/mol. Its IUPAC name is 9-thiophen-3-ylcarbazole.
Molecular Properties
| Compound Name | 9-thiophen-3-ylcarbazole |
| PubChem CID | 101439489 |
| Molecular Formula | C16H11NS |
| Molecular Weight | 249.34 g/mol |
| Exact Mass | 249.06 |
| IUPAC Name | 9-thiophen-3-ylcarbazole |
| SMILES | c1ccc2c(c1)c1ccccc1n2-c1ccsc1 |
| InChI | InChI=1S/C16H11NS/c1-3-7-15-13(5-1)14-6-2-4-8-16(14)17(15)12-9-10-18-11-12/h1-11H |
| InChIKey | NWPHNLCGBGDUPP-UHFFFAOYSA-N |
| XLogP | 4.85 |
| TPSA | 4.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 249.34 |
| LogP ≤ 5 | 4.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 9-thiophen-3-ylcarbazole?
The IUPAC name of 9-thiophen-3-ylcarbazole (CID 101439489) is 9-thiophen-3-ylcarbazole.
What is the SMILES notation for 9-thiophen-3-ylcarbazole?
The canonical SMILES for 9-thiophen-3-ylcarbazole is c1ccc2c(c1)c1ccccc1n2-c1ccsc1.
What is the InChIKey of 9-thiophen-3-ylcarbazole?
The InChIKey is NWPHNLCGBGDUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NS/c1-3-7-15-13(5-1)14-6-2-4-8-16(14)17(15)12-9-10-18-11-12/h1-11H.
What are the key properties of 9-thiophen-3-ylcarbazole?
9-thiophen-3-ylcarbazole has a molecular weight of 249.34 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-thiophen-3-ylcarbazole is sourced from PubChem (CID 101439489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).