2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole

C18H13NOS — CID 141060250

IUPAC2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole
SMILESc1ccc(-c2coc(-c3ccc[nH]3)c2-c2cccs2)cc1
InChIInChI=1S/C18H13NOS/c1-2-6-13(7-3-1)14-12-20-18(15-8-4-10-19-15)17(14)16-9-5-11-21-16/h1-12,19H
InChIKeyIDUVWILLKWGBNX-UHFFFAOYSA-N
MW291.38 g/mol
LogP5.67
Rot. Bonds3

About 2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole

2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole (PubChem CID 141060250) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole
PubChem CID141060250
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Name2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole
SMILESc1ccc(-c2coc(-c3ccc[nH]3)c2-c2cccs2)cc1
InChIInChI=1S/C18H13NOS/c1-2-6-13(7-3-1)14-12-20-18(15-8-4-10-19-15)17(14)16-9-5-11-21-16/h1-12,19H
InChIKeyIDUVWILLKWGBNX-UHFFFAOYSA-N
XLogP5.67
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.38
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole?
The IUPAC name of 2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole (CID 141060250) is 2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole.
What is the SMILES notation for 2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole?
The canonical SMILES for 2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole is c1ccc(-c2coc(-c3ccc[nH]3)c2-c2cccs2)cc1.
What is the InChIKey of 2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole?
The InChIKey is IDUVWILLKWGBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS/c1-2-6-13(7-3-1)14-12-20-18(15-8-4-10-19-15)17(14)16-9-5-11-21-16/h1-12,19H.
What are the key properties of 2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole?
2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole has a molecular weight of 291.38 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-3-thiophen-2-ylfuran-2-yl)-1H-pyrrole is sourced from PubChem (CID 141060250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).