octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate

C139H92F6N28O24OsRu3S8 — CID 159820784

About octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate

octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate (PubChem CID 159820784) has the molecular formula C139H92F6N28O24OsRu3S8 and a molecular weight of 3402.40 g/mol. Its IUPAC name is octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate.

Molecular Properties

• Compound Name: octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate
• PubChem CID: 159820784
• Molecular Formula: C139H92F6N28O24OsRu3S8
• Molecular Weight: 3402.40 g/mol
• Exact Mass: 3404.13
• IUPAC Name: octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate
• SMILES: Cc1cc(-c2cccc(/C=C/c3ccc(C)s3)n2)[n-]n1.Cc1ccc(/C=C/c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)s1.Cc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.Cc1ccc(/C=C/c2ccnc(-c3ncc[n-]3)c2)s1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Os+2].[Ru+2].[Ru+2].[Ru+2]
• InChI: InChI=1S/2C16H11F3N3S.4C16H11N3O2.C16H14N3S.C15H12N3S.4CNS.8CO2.Os.3Ru/c1-10-2-5-12(23-10)6-3-11-4-7-13(20-9-11)14-8-15(22-21-14)16(17,18)19;1-10-2-4-12(23-10)5-3-11-6-7-20-13(8-11)14-9-15(22-21-14)16(17,18)19;4*20-16(21)11-7-9-18-15(10-11)14-6-3-5-13(19-14)12-4-1-2-8-17-12;1-11-10-16(19-18-11)15-5-3-4-13(17-15)7-9-14-8-6-12(2)20-14;1-11-2-4-13(19-11)5-3-12-6-7-16-14(10-12)15-17-8-9-18-15;12*2-1-3;;;;/h2*2-9H,1H3;4*1-10H,(H,20,21);3-10H,1-2H3;2-10H,1H3;;;;;;;;;;;;;;;;/q2*-1;;;;;6*-1;;;;;;;;;4*+2/b6-3+;5-3+;;;;;9-7+;5-3+
• InChIKey: NMEWWKVYXZUHNC-ARIUFZIGSA-N
• XLogP: 26.48
• TPSA: 825.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 48
• Rotatable Bonds: 24
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3402.40
LogP ≤ 5	26.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate?

The IUPAC name of octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate (CID 159820784) is octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate.

What is the SMILES notation for octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate?

The canonical SMILES for octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate is Cc1cc(-c2cccc(/C=C/c3ccc(C)s3)n2)[n-]n1.Cc1ccc(/C=C/c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)s1.Cc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.Cc1ccc(/C=C/c2ccnc(-c3ncc[n-]3)c2)s1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Os+2].[Ru+2].[Ru+2].[Ru+2].

What is the InChIKey of octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate?

The InChIKey is NMEWWKVYXZUHNC-ARIUFZIGSA-N. The full InChI is InChI=1S/2C16H11F3N3S.4C16H11N3O2.C16H14N3S.C15H12N3S.4CNS.8CO2.Os.3Ru/c1-10-2-5-12(23-10)6-3-11-4-7-13(20-9-11)14-8-15(22-21-14)16(17,18)19;1-10-2-4-12(23-10)5-3-11-6-7-20-13(8-11)14-9-15(22-21-14)16(17,18)19;4*20-16(21)11-7-9-18-15(10-11)14-6-3-5-13(19-14)12-4-1-2-8-17-12;1-11-10-16(19-18-11)15-5-3-4-13(17-15)7-9-14-8-6-12(2)20-14;1-11-2-4-13(19-11)5-3-12-6-7-16-14(10-12)15-17-8-9-18-15;12*2-1-3;;;;/h2*2-9H,1H3;4*1-10H,(H,20,21);3-10H,1-2H3;2-10H,1H3;;;;;;;;;;;;;;;;/q2*-1;;;;;6*-1;;;;;;;;;4*+2/b6-3+;5-3+;;;;;9-7+;5-3+;;;;;;;;;;;;;;;;.

What are the key properties of octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate?

octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate has a molecular weight of 3402.40 g/mol, XLogP of 26.48, 24 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for octakis(carbon dioxide);2-imidazol-3-id-2-yl-4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[(E)-2-(5-methylthiophen-2-yl)ethenyl]pyridine;4-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;osmium(2+);tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));tetraisothiocyanate is sourced from PubChem (CID 159820784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).