9-thiophen-3-ylcarbazole

C16H11NS — CID 101439489

IUPAC9-thiophen-3-ylcarbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccsc1
InChIInChI=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
InChIKeyNWPHNLCGBGDUPP-UHFFFAOYSA-N
MW249.34 g/mol
LogP4.85
Rot. Bonds1

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 Name9-thiophen-3-ylcarbazole
PubChem CID101439489
Molecular FormulaC16H11NS
Molecular Weight249.34 g/mol
Exact Mass249.06
IUPAC Name9-thiophen-3-ylcarbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccsc1
InChIInChI=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
InChIKeyNWPHNLCGBGDUPP-UHFFFAOYSA-N
XLogP4.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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).