2-(1-benzothiophen-2-yl)-9H-carbazole

C20H13NS — CID 142748713

IUPAC2-(1-benzothiophen-2-yl)-9H-carbazole
SMILESc1ccc2sc(-c3ccc4c(c3)[nH]c3ccccc34)cc2c1
InChIInChI=1S/C20H13NS/c1-4-8-19-13(5-1)12-20(22-19)14-9-10-16-15-6-2-3-7-17(15)21-18(16)11-14/h1-12,21H
InChIKeyWXFMPEQYBZJXOU-UHFFFAOYSA-N
MW299.40 g/mol
LogP6.20
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-9H-carbazole

2-(1-benzothiophen-2-yl)-9H-carbazole (PubChem CID 142748713) has the molecular formula C20H13NS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-9H-carbazole.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-9H-carbazole
PubChem CID142748713
Molecular FormulaC20H13NS
Molecular Weight299.40 g/mol
Exact Mass299.08
IUPAC Name2-(1-benzothiophen-2-yl)-9H-carbazole
SMILESc1ccc2sc(-c3ccc4c(c3)[nH]c3ccccc34)cc2c1
InChIInChI=1S/C20H13NS/c1-4-8-19-13(5-1)12-20(22-19)14-9-10-16-15-6-2-3-7-17(15)21-18(16)11-14/h1-12,21H
InChIKeyWXFMPEQYBZJXOU-UHFFFAOYSA-N
XLogP6.20
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.40
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1-benzothiophen-2-yl)-9H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole
CID 142748705
2-chrysen-2-yl-1-benzothiophene
CID 58362123
2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole
CID 146369031
2-triphenylen-2-yl-9H-carbazole
CID 118922949
5-(1-benzothiophen-2-yl)-1H-indole
CID 53408080
2-(3-nitro-1-benzothiophen-2-yl)-9H-carbazole
CID 142727152
2-[2-([1]benzothiolo[3,2-b][1]benzothiol-2-yl)thieno[2,3-f][1]benzothiol-6-yl]-[1]benzothiolo[3,2-b][1]benzothiole
CID 156519656
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
CID 59413459
CID 59413459
6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
CID 137248275
(3E)-6-(1-benzothiophen-2-yl)-3-[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]-1H-indol-2-one
CID 102341075
6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol
CID 21075903

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-9H-carbazole?
The IUPAC name of 2-(1-benzothiophen-2-yl)-9H-carbazole (CID 142748713) is 2-(1-benzothiophen-2-yl)-9H-carbazole.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-9H-carbazole?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-9H-carbazole is c1ccc2sc(-c3ccc4c(c3)[nH]c3ccccc34)cc2c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-9H-carbazole?
The InChIKey is WXFMPEQYBZJXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NS/c1-4-8-19-13(5-1)12-20(22-19)14-9-10-16-15-6-2-3-7-17(15)21-18(16)11-14/h1-12,21H.
What are the key properties of 2-(1-benzothiophen-2-yl)-9H-carbazole?
2-(1-benzothiophen-2-yl)-9H-carbazole has a molecular weight of 299.40 g/mol, XLogP of 6.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-9H-carbazole is sourced from PubChem (CID 142748713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).