[2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)

C54H38F6N10O6RuS3 — CID 153435329

About [2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)

[2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+) (PubChem CID 153435329) has the molecular formula C54H38F6N10O6RuS3 and a molecular weight of 1234.22 g/mol. Its IUPAC name is [2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+).

Molecular Properties

• Compound Name: [2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)
• PubChem CID: 153435329
• Molecular Formula: C54H38F6N10O6RuS3
• Molecular Weight: 1234.22 g/mol
• Exact Mass: 1234.11
• IUPAC Name: [2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)
• SMILES: CCCCCCc1ccc(-c2nc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(-c4ccc(-c5sc(-c6cccs6)c6c5OCCO6)s4)ccn3)n2)c1.[Ru+2]
• InChI: InChI=1S/C31H19N3O6S3.C23H19F6N7.Ru/c35-16-39-19-6-8-33-22(13-19)24-15-20(40-17-36)14-23(34-24)21-12-18(5-7-32-21)25-3-4-27(42-25)31-29-28(37-9-10-38-29)30(43-31)26-2-1-11-41-26;1-2-3-4-5-6-13-7-9-14(10-8-13)19-30-20(15-11-17(35-33-15)22(24,25)26)32-21(31-19)16-12-18(36-34-16)23(27,28)29;/h1-8,11-17H,9-10H2;7-12H,2-6H2,1H3;/q;-2;+2
• InChIKey: FHXRZQXBVPUOMH-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 202.38 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1234.22
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)?

The IUPAC name of [2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+) (CID 153435329) is [2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+).

What is the SMILES notation for [2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)?

The canonical SMILES for [2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+) is CCCCCCc1ccc(-c2nc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(-c4ccc(-c5sc(-c6cccs6)c6c5OCCO6)s4)ccn3)n2)c1.[Ru+2].

What is the InChIKey of [2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)?

The InChIKey is FHXRZQXBVPUOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3O6S3.C23H19F6N7.Ru/c35-16-39-19-6-8-33-22(13-19)24-15-20(40-17-36)14-23(34-24)21-12-18(5-7-32-21)25-3-4-27(42-25)31-29-28(37-9-10-38-29)30(43-31)26-2-1-11-41-26;1-2-3-4-5-6-13-7-9-14(10-8-13)19-30-20(15-11-17(35-33-15)22(24,25)26)32-21(31-19)16-12-18(36-34-16)23(27,28)29;/h1-8,11-17H,9-10H2;7-12H,2-6H2,1H3;/q;-2;+2.

What are the key properties of [2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)?

[2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+) has a molecular weight of 1234.22 g/mol, XLogP of 12.97, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+) is sourced from PubChem (CID 153435329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).