3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole

C47H32N8O2S4 — CID 141434046

About 3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole

3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole (PubChem CID 141434046) has the molecular formula C47H32N8O2S4 and a molecular weight of 869.10 g/mol. Its IUPAC name is 3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole
• PubChem CID: 141434046
• Molecular Formula: C47H32N8O2S4
• Molecular Weight: 869.10 g/mol
• Exact Mass: 868.15
• IUPAC Name: 3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole
• SMILES: c1csc(N2C(c3ccn[nH]3)C(c3ccon3)=C(c3nccs3)S2(c2ncc[nH]2)(c2cc3ccccc3o2)(c2cc3ccccc3s2)c2cccc3c2[nH]c2ccccc23)c1
• InChI: InChI=1S/C47H32N8O2S4/c1-5-14-36-29(9-1)27-40(57-36)61(47-49-21-22-50-47,41-28-30-10-2-6-15-37(30)60-41,38-16-7-12-32-31-11-3-4-13-33(31)52-43(32)38)45(46-48-23-26-59-46)42(34-19-24-56-54-34)44(35-18-20-51-53-35)55(61)39-17-8-25-58-39/h1-28,44,52H,(H,49,50)(H,51,53)
• InChIKey: VUHZIUSQYJMKKL-UHFFFAOYSA-N
• XLogP: 13.39
• TPSA: 128.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.10
LogP ≤ 5	13.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole?

The IUPAC name of 3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole (CID 141434046) is 3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole.

What is the SMILES notation for 3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole?

The canonical SMILES for 3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole is c1csc(N2C(c3ccn[nH]3)C(c3ccon3)=C(c3nccs3)S2(c2ncc[nH]2)(c2cc3ccccc3o2)(c2cc3ccccc3s2)c2cccc3c2[nH]c2ccccc23)c1.

What is the InChIKey of 3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole?

The InChIKey is VUHZIUSQYJMKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N8O2S4/c1-5-14-36-29(9-1)27-40(57-36)61(47-49-21-22-50-47,41-28-30-10-2-6-15-37(30)60-41,38-16-7-12-32-31-11-3-4-13-33(31)52-43(32)38)45(46-48-23-26-59-46)42(34-19-24-56-54-34)44(35-18-20-51-53-35)55(61)39-17-8-25-58-39/h1-28,44,52H,(H,49,50)(H,51,53).

What are the key properties of 3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole?

3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole has a molecular weight of 869.10 g/mol, XLogP of 13.39, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 141434046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).