2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole

C47H33N7O2S2 — CID 141420395

About 2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole

2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole (PubChem CID 141420395) has the molecular formula C47H33N7O2S2 and a molecular weight of 791.96 g/mol. Its IUPAC name is 2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole.

Molecular Properties

• Compound Name: 2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole
• PubChem CID: 141420395
• Molecular Formula: C47H33N7O2S2
• Molecular Weight: 791.96 g/mol
• Exact Mass: 791.21
• IUPAC Name: 2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole
• SMILES: c1c[nH]c(C2=C(c3cc4ccccc4o3)N(c3ccco3)C(c3ccn[nH]3)(c3cc4ccccc4s3)C(c3ncc[nH]3)(c3cccs3)C2c2cc3ccccc3[nH]2)c1
• InChI: InChI=1S/C47H33N7O2S2/c1-4-13-32-29(10-1)26-34(52-32)43-42(33-14-7-20-48-33)44(36-27-30-11-2-5-15-35(30)56-36)54(41-18-8-24-55-41)47(38-19-21-51-53-38,40-28-31-12-3-6-16-37(31)58-40)46(43,39-17-9-25-57-39)45-49-22-23-50-45/h1-28,43,48,52H,(H,49,50)(H,51,53)
• InChIKey: VIYURYBJDRDELE-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 118.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.96
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole?

The IUPAC name of 2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole (CID 141420395) is 2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole.

What is the SMILES notation for 2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole?

The canonical SMILES for 2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole is c1c[nH]c(C2=C(c3cc4ccccc4o3)N(c3ccco3)C(c3ccn[nH]3)(c3cc4ccccc4s3)C(c3ncc[nH]3)(c3cccs3)C2c2cc3ccccc3[nH]2)c1.

What is the InChIKey of 2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole?

The InChIKey is VIYURYBJDRDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N7O2S2/c1-4-13-32-29(10-1)26-34(52-32)43-42(33-14-7-20-48-33)44(36-27-30-11-2-5-15-35(30)56-36)54(41-18-8-24-55-41)47(38-19-21-51-53-38,40-28-31-12-3-6-16-37(31)58-40)46(43,39-17-9-25-57-39)45-49-22-23-50-45/h1-28,43,48,52H,(H,49,50)(H,51,53).

What are the key properties of 2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole?

2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole has a molecular weight of 791.96 g/mol, XLogP of 11.66, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 141420395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).