[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate

C144H111F9N24O24OsRu2S12 — CID 157059348

About [2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate

[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate (PubChem CID 157059348) has the molecular formula C144H111F9N24O24OsRu2S12 and a molecular weight of 3509.77 g/mol. Its IUPAC name is [2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate.

Molecular Properties

• Compound Name: [2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate
• PubChem CID: 157059348
• Molecular Formula: C144H111F9N24O24OsRu2S12
• Molecular Weight: 3509.77 g/mol
• Exact Mass: 3510.24
• IUPAC Name: [2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate
• SMILES: CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(-c4sc(-c5scc6c5OCCO6)c5c4OCCO5)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3nccc(-c4sc(-c5scc6c5OCCO6)c5c4OCCO5)n3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3ncnc(-c4sc(-c5scc6c5OCCO6)c5c4OCCO5)n3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Os+2].[Ru+2].[Ru+2]
• InChI: InChI=1S/C29H19N3O8S2.C28H18N4O8S2.C27H17N5O8S2.3C19H19F3N3S.3CNS.Os.2Ru/c33-14-39-17-2-4-31-20(10-17)22-12-18(40-15-34)11-21(32-22)19-9-16(1-3-30-19)27-25-26(38-8-7-37-25)29(42-27)28-24-23(13-41-28)35-5-6-36-24;33-13-39-15-1-3-29-18(9-15)19-10-16(40-14-34)11-20(31-19)28-30-4-2-17(32-28)25-23-24(38-8-7-37-23)27(42-25)26-22-21(12-41-26)35-5-6-36-22;33-12-39-14-1-2-28-16(7-14)17-8-15(40-13-34)9-18(31-17)26-29-11-30-27(32-26)25-22-21(37-5-6-38-22)24(42-25)23-20-19(10-41-23)35-3-4-36-20;3*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;3*2-1-3;;;/h1-4,9-15H,5-8H2;1-4,9-14H,5-8H2;1-2,7-13H,3-6H2;3*7-12H,2-6H2,1H3;;;;;;/q;;;6*-1;3*+2
• InChIKey: ABDHLHRJAVVNGB-UHFFFAOYSA-N
• XLogP: 33.89
• TPSA: 609.78 Ų
• H-Bond Acceptors: 54
• Rotatable Bonds: 45
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3509.77
LogP ≤ 5	33.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 [2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate?

The IUPAC name of [2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate (CID 157059348) is [2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate.

What is the SMILES notation for [2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate?

The canonical SMILES for [2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate is CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(-c4sc(-c5scc6c5OCCO6)c5c4OCCO5)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3nccc(-c4sc(-c5scc6c5OCCO6)c5c4OCCO5)n3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3ncnc(-c4sc(-c5scc6c5OCCO6)c5c4OCCO5)n3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Os+2].[Ru+2].[Ru+2].

What is the InChIKey of [2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate?

The InChIKey is ABDHLHRJAVVNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O8S2.C28H18N4O8S2.C27H17N5O8S2.3C19H19F3N3S.3CNS.Os.2Ru/c33-14-39-17-2-4-31-20(10-17)22-12-18(40-15-34)11-21(32-22)19-9-16(1-3-30-19)27-25-26(38-8-7-37-25)29(42-27)28-24-23(13-41-28)35-5-6-36-24;33-13-39-15-1-3-29-18(9-15)19-10-16(40-14-34)11-20(31-19)28-30-4-2-17(32-28)25-23-24(38-8-7-37-23)27(42-25)26-22-21(12-41-26)35-5-6-36-22;33-12-39-14-1-2-28-16(7-14)17-8-15(40-13-34)9-18(31-17)26-29-11-30-27(32-26)25-22-21(37-5-6-38-22)24(42-25)23-20-19(10-41-23)35-3-4-36-20;3*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;3*2-1-3;;;/h1-4,9-15H,5-8H2;1-4,9-14H,5-8H2;1-2,7-13H,3-6H2;3*7-12H,2-6H2,1H3;;;;;;/q;;;6*-1;3*+2.

What are the key properties of [2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate?

[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate has a molecular weight of 3509.77 g/mol, XLogP of 33.89, 45 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate is sourced from PubChem (CID 157059348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).