5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-7-(1H-tetrazol-5-yl)-4-thiophen-2-yl-1H-indole

C37H22N6O2S2 — CID 141051888

About 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-7-(1H-tetrazol-5-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)-7-(1H-tetrazol-5-yl)-4-thiophen-2-yl-1H-indole (PubChem CID 141051888) has the molecular formula C37H22N6O2S2 and a molecular weight of 646.76 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)-7-(1H-tetrazol-5-yl)-4-thiophen-2-yl-1H-indole.

Molecular Properties

• Compound Name: 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-7-(1H-tetrazol-5-yl)-4-thiophen-2-yl-1H-indole
• PubChem CID: 141051888
• Molecular Formula: C37H22N6O2S2
• Molecular Weight: 646.76 g/mol
• Exact Mass: 646.12
• IUPAC Name: 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-7-(1H-tetrazol-5-yl)-4-thiophen-2-yl-1H-indole
• SMILES: c1c[nH]c(-c2[nH]c3c(-c4nnn[nH]4)c(-c4ccco4)c(-c4cc5ccccc5o4)c(-c4cccs4)c3c2-c2cc3ccccc3s2)c1
• InChI: InChI=1S/C37H22N6O2S2/c1-3-11-23-20(8-1)18-25(45-23)30-29(24-12-6-16-44-24)34(37-40-42-43-41-37)36-33(31(30)27-14-7-17-46-27)32(35(39-36)22-10-5-15-38-22)28-19-21-9-2-4-13-26(21)47-28/h1-19,38-39H,(H,40,41,42,43)
• InChIKey: NFCVPBBITRWVEK-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 112.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.76
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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)-7-(1H-tetrazol-5-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)-7-(1H-tetrazol-5-yl)-4-thiophen-2-yl-1H-indole (CID 141051888) is 5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-7-(1H-tetrazol-5-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)-7-(1H-tetrazol-5-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)-7-(1H-tetrazol-5-yl)-4-thiophen-2-yl-1H-indole is c1c[nH]c(-c2[nH]c3c(-c4nnn[nH]4)c(-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)-7-(1H-tetrazol-5-yl)-4-thiophen-2-yl-1H-indole?

The InChIKey is NFCVPBBITRWVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N6O2S2/c1-3-11-23-20(8-1)18-25(45-23)30-29(24-12-6-16-44-24)34(37-40-42-43-41-37)36-33(31(30)27-14-7-17-46-27)32(35(39-36)22-10-5-15-38-22)28-19-21-9-2-4-13-26(21)47-28/h1-19,38-39H,(H,40,41,42,43).

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)-7-(1H-tetrazol-5-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)-7-(1H-tetrazol-5-yl)-4-thiophen-2-yl-1H-indole has a molecular weight of 646.76 g/mol, XLogP of 10.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 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)-7-(1H-tetrazol-5-yl)-4-thiophen-2-yl-1H-indole is sourced from PubChem (CID 141051888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).