Skip to content

5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole

C36H22N2O2S2 — CID 141178228

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole
SMILESc1c[nH]c(-c2[nH]c3cc(-c4ccco4)c(-c4cc5ccccc5o4)c(-c4cccs4)c3c2-c2cc3ccccc3s2)c1
InChIInChI=1S/C36H22N2O2S2/c1-3-11-26-21(8-1)18-28(40-26)32-23(27-12-6-16-39-27)20-25-33(34(32)30-14-7-17-41-30)35(36(38-25)24-10-5-15-37-24)31-19-22-9-2-4-13-29(22)42-31/h1-20,37-38H
InChIKeyLJLRLJSLMIJDLM-UHFFFAOYSA-N
MW578.72 g/mol
LogP11.45
Rot. Bonds5

About 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole

5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole (PubChem CID 141178228) has the molecular formula C36H22N2O2S2 and a molecular weight of 578.72 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole
PubChem CID141178228
Molecular FormulaC36H22N2O2S2
Molecular Weight578.72 g/mol
Exact Mass578.11
IUPAC Name5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole
SMILESc1c[nH]c(-c2[nH]c3cc(-c4ccco4)c(-c4cc5ccccc5o4)c(-c4cccs4)c3c2-c2cc3ccccc3s2)c1
InChIInChI=1S/C36H22N2O2S2/c1-3-11-26-21(8-1)18-28(40-26)32-23(27-12-6-16-39-27)20-25-33(34(32)30-14-7-17-41-30)35(36(38-25)24-10-5-15-37-24)31-19-22-9-2-4-13-29(22)42-31/h1-20,37-38H
InChIKeyLJLRLJSLMIJDLM-UHFFFAOYSA-N
XLogP11.45
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 511.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole 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 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole?
The IUPAC name of 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole (CID 141178228) is 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole?
The canonical SMILES for 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole is c1c[nH]c(-c2[nH]c3cc(-c4ccco4)c(-c4cc5ccccc5o4)c(-c4cccs4)c3c2-c2cc3ccccc3s2)c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole?
The InChIKey is LJLRLJSLMIJDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O2S2/c1-3-11-26-21(8-1)18-28(40-26)32-23(27-12-6-16-39-27)20-25-33(34(32)30-14-7-17-41-30)35(36(38-25)24-10-5-15-37-24)31-19-22-9-2-4-13-29(22)42-31/h1-20,37-38H.
What are the key properties of 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole?
5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole has a molecular weight of 578.72 g/mol, XLogP of 11.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole is sourced from PubChem (CID 141178228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.