9-thiophen-3-ylcarbazole-2-carboxylic acid

C17H11NO2S — CID 59626486

IUPAC9-thiophen-3-ylcarbazole-2-carboxylic acid
SMILESO=C(O)c1ccc2c3ccccc3n(-c3ccsc3)c2c1
InChIInChI=1S/C17H11NO2S/c19-17(20)11-5-6-14-13-3-1-2-4-15(13)18(16(14)9-11)12-7-8-21-10-12/h1-10H,(H,19,20)
InChIKeyQLPHDVUOVYPQIE-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.54
Rot. Bonds2

About 9-thiophen-3-ylcarbazole-2-carboxylic acid

9-thiophen-3-ylcarbazole-2-carboxylic acid (PubChem CID 59626486) has the molecular formula C17H11NO2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 9-thiophen-3-ylcarbazole-2-carboxylic acid.

Molecular Properties

Compound Name9-thiophen-3-ylcarbazole-2-carboxylic acid
PubChem CID59626486
Molecular FormulaC17H11NO2S
Molecular Weight293.35 g/mol
Exact Mass293.05
IUPAC Name9-thiophen-3-ylcarbazole-2-carboxylic acid
SMILESO=C(O)c1ccc2c3ccccc3n(-c3ccsc3)c2c1
InChIInChI=1S/C17H11NO2S/c19-17(20)11-5-6-14-13-3-1-2-4-15(13)18(16(14)9-11)12-7-8-21-10-12/h1-10H,(H,19,20)
InChIKeyQLPHDVUOVYPQIE-UHFFFAOYSA-N
XLogP4.54
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-thiophen-3-ylcarbazole-2-carboxylic acid?
The IUPAC name of 9-thiophen-3-ylcarbazole-2-carboxylic acid (CID 59626486) is 9-thiophen-3-ylcarbazole-2-carboxylic acid.
What is the SMILES notation for 9-thiophen-3-ylcarbazole-2-carboxylic acid?
The canonical SMILES for 9-thiophen-3-ylcarbazole-2-carboxylic acid is O=C(O)c1ccc2c3ccccc3n(-c3ccsc3)c2c1.
What is the InChIKey of 9-thiophen-3-ylcarbazole-2-carboxylic acid?
The InChIKey is QLPHDVUOVYPQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2S/c19-17(20)11-5-6-14-13-3-1-2-4-15(13)18(16(14)9-11)12-7-8-21-10-12/h1-10H,(H,19,20).
What are the key properties of 9-thiophen-3-ylcarbazole-2-carboxylic acid?
9-thiophen-3-ylcarbazole-2-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-thiophen-3-ylcarbazole-2-carboxylic acid is sourced from PubChem (CID 59626486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).