2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone)

C117H85F8N15O9S3Se6 — CID 158950101

About 2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone)

2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone) (PubChem CID 158950101) has the molecular formula C117H85F8N15O9S3Se6 and a molecular weight of 2567.01 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone).

Molecular Properties

• Compound Name: 2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone)
• PubChem CID: 158950101
• Molecular Formula: C117H85F8N15O9S3Se6
• Molecular Weight: 2567.01 g/mol
• Exact Mass: 2571.07
• IUPAC Name: 2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone)
• SMILES: Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Cc2c(F)cccc2F)[se]1.Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Cc2ccccc2F)[se]1.Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Cc2ccccc2F)[se]1.Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Cc2c(F)cccc2F)[se]1.Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Cc2ccccc2F)[se]1.Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Cc2ccccc2F)[se]1
• InChI: InChI=1S/C20H14F2N2O2Se.2C20H15FN2O2Se.C19H13F2N3OSSe.2C19H14FN3OSSe/c1-24-16(11-15(23-24)18-6-3-9-26-18)19-7-8-20(27-19)17(25)10-12-13(21)4-2-5-14(12)22;2*1-23-16(12-15(22-23)18-7-4-10-25-18)19-8-9-20(26-19)17(24)11-13-5-2-3-6-14(13)21;1-24-15(10-14(23-24)19-22-7-8-26-19)17-5-6-18(27-17)16(25)9-11-12(20)3-2-4-13(11)21;2*1-23-15(11-14(22-23)19-21-8-9-25-19)17-6-7-18(26-17)16(24)10-12-4-2-3-5-13(12)20/h2-9,11H,10H2,1H3;2*2-10,12H,11H2,1H3;2-8,10H,9H2,1H3;2*2-9,11H,10H2,1H3
• InChIKey: JLHVLNWBRNNRKO-UHFFFAOYSA-N
• XLogP: 23.68
• TPSA: 287.43 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2567.01
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone)?

The IUPAC name of 2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone) (CID 158950101) is 2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone).

What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone)?

The canonical SMILES for 2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone) is Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Cc2c(F)cccc2F)[se]1.Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Cc2ccccc2F)[se]1.Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Cc2ccccc2F)[se]1.Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Cc2c(F)cccc2F)[se]1.Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Cc2ccccc2F)[se]1.Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Cc2ccccc2F)[se]1.

What is the InChIKey of 2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone)?

The InChIKey is JLHVLNWBRNNRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O2Se.2C20H15FN2O2Se.C19H13F2N3OSSe.2C19H14FN3OSSe/c1-24-16(11-15(23-24)18-6-3-9-26-18)19-7-8-20(27-19)17(25)10-12-13(21)4-2-5-14(12)22;2*1-23-16(12-15(22-23)18-7-4-10-25-18)19-8-9-20(26-19)17(24)11-13-5-2-3-6-14(13)21;1-24-15(10-14(23-24)19-22-7-8-26-19)17-5-6-18(27-17)16(25)9-11-12(20)3-2-4-13(11)21;2*1-23-15(11-14(22-23)19-21-8-9-25-19)17-6-7-18(26-17)16(24)10-12-4-2-3-5-13(12)20/h2-9,11H,10H2,1H3;2*2-10,12H,11H2,1H3;2-8,10H,9H2,1H3;2*2-9,11H,10H2,1H3.

What are the key properties of 2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone)?

2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone) has a molecular weight of 2567.01 g/mol, XLogP of 23.68, 30 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-difluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone;2-(2,6-difluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone;bis(2-(2-fluorophenyl)-1-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]selenophen-2-yl]ethanone);bis(2-(2-fluorophenyl)-1-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]selenophen-2-yl]ethanone) is sourced from PubChem (CID 158950101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).