tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate

C133H81F12N29O26Ru4S8 — CID 160699950

About tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate

tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate (PubChem CID 160699950) has the molecular formula C133H81F12N29O26Ru4S8 and a molecular weight of 3390.08 g/mol. Its IUPAC name is tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate.

Molecular Properties

• Compound Name: tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate
• PubChem CID: 160699950
• Molecular Formula: C133H81F12N29O26Ru4S8
• Molecular Weight: 3390.08 g/mol
• Exact Mass: 3390.97
• IUPAC Name: tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate
• SMILES: Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)s1.Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)s1.Cc1ccc(-c2ccc(-c3nc(C(F)(F)F)n[n-]3)nc2)s1.Cc1sc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)c2c1OCCO2.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2]
• InChI: InChI=1S/4C18H11N3O6.C16H11F3N3O2S.2C14H9F3N3S.C13H8F3N4S.4CNS.4Ru/c4*22-9-26-12-2-4-20-15(6-12)17-8-13(27-10-23)7-16(21-17)14-5-11(18(24)25)1-3-19-14;1-8-13-14(24-5-4-23-13)15(25-8)9-2-3-10(20-7-9)11-6-12(22-21-11)16(17,18)19;2*1-8-2-5-12(21-8)9-3-4-10(18-7-9)11-6-13(20-19-11)14(15,16)17;1-7-2-5-10(21-7)8-3-4-9(17-6-8)11-18-12(20-19-11)13(14,15)16;4*2-1-3;;;;/h4*1-10H,(H,24,25);2-3,6-7H,4-5H2,1H3;2*2-7H,1H3;2-6H,1H3;;;;;;;;/q;;;;8*-1;4*+2
• InChIKey: RQMIOBNTZGEEOK-UHFFFAOYSA-N
• XLogP: 26.31
• TPSA: 794.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 51
• Rotatable Bonds: 36
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3390.08
LogP ≤ 5	26.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate?

The IUPAC name of tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate (CID 160699950) is tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate.

What is the SMILES notation for tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate?

The canonical SMILES for tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate is Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)s1.Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)s1.Cc1ccc(-c2ccc(-c3nc(C(F)(F)F)n[n-]3)nc2)s1.Cc1sc(-c2ccc(-c3cc(C(F)(F)F)n[n-]3)nc2)c2c1OCCO2.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].

What is the InChIKey of tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate?

The InChIKey is RQMIOBNTZGEEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H11N3O6.C16H11F3N3O2S.2C14H9F3N3S.C13H8F3N4S.4CNS.4Ru/c4*22-9-26-12-2-4-20-15(6-12)17-8-13(27-10-23)7-16(21-17)14-5-11(18(24)25)1-3-19-14;1-8-13-14(24-5-4-23-13)15(25-8)9-2-3-10(20-7-9)11-6-12(22-21-11)16(17,18)19;2*1-8-2-5-12(21-8)9-3-4-10(18-7-9)11-6-13(20-19-11)14(15,16)17;1-7-2-5-10(21-7)8-3-4-9(17-6-8)11-18-12(20-19-11)13(14,15)16;4*2-1-3;;;;/h4*1-10H,(H,24,25);2-3,6-7H,4-5H2,1H3;2*2-7H,1H3;2-6H,1H3;;;;;;;;/q;;;;8*-1;4*+2.

What are the key properties of tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate?

tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate has a molecular weight of 3390.08 g/mol, XLogP of 26.31, 36 rotatable bonds, 4 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(5-methylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(5-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));tetraisothiocyanate is sourced from PubChem (CID 160699950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).