2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole

C18H13NOS — CID 141058588

IUPAC2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole
SMILESc1c[nH]c(-c2cccc(-c3ccco3)c2-c2cccs2)c1
InChIInChI=1S/C18H13NOS/c1-5-13(15-7-2-10-19-15)18(17-9-4-12-21-17)14(6-1)16-8-3-11-20-16/h1-12,19H
InChIKeyLCDYQZVVDCVRKI-UHFFFAOYSA-N
MW291.38 g/mol
LogP5.67
Rot. Bonds3

About 2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole

2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole (PubChem CID 141058588) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole
PubChem CID141058588
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Name2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole
SMILESc1c[nH]c(-c2cccc(-c3ccco3)c2-c2cccs2)c1
InChIInChI=1S/C18H13NOS/c1-5-13(15-7-2-10-19-15)18(17-9-4-12-21-17)14(6-1)16-8-3-11-20-16/h1-12,19H
InChIKeyLCDYQZVVDCVRKI-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

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Related Compounds

4-(Furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
[5-[4-(Furan-3-yl)-3-pyridinyl]thiophen-2-yl]methanamine;dihydrochloride
CID 145956935
5-(5-((2-(benzofuran-4-yl)ethylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418212
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-(Furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine
CID 46224850
4-(Furan-3-yl)-2,6-di(thiophen-3-yl)pyridine
CID 46224852
4-Furan-2-yl-2-thiophen-2-yl-pyridine
CID 44276312

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole?
The IUPAC name of 2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole (CID 141058588) is 2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole.
What is the SMILES notation for 2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole?
The canonical SMILES for 2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole is c1c[nH]c(-c2cccc(-c3ccco3)c2-c2cccs2)c1.
What is the InChIKey of 2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole?
The InChIKey is LCDYQZVVDCVRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS/c1-5-13(15-7-2-10-19-15)18(17-9-4-12-21-17)14(6-1)16-8-3-11-20-16/h1-12,19H.
What are the key properties of 2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole?
2-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-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-[3-(furan-2-yl)-2-thiophen-2-ylphenyl]-1H-pyrrole is sourced from PubChem (CID 141058588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).