[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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)

C56H40F6N8O6RuS4 — CID 153435282

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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) (PubChem CID 153435282) has the molecular formula C56H40F6N8O6RuS4 and a molecular weight of 1264.31 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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
• PubChem CID: 153435282
• Molecular Formula: C56H40F6N8O6RuS4
• Molecular Weight: 1264.31 g/mol
• Exact Mass: 1264.09
• 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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
• SMILES: CCCCCCc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(-c4ccc(-c5sc(-c6cccs6)c6c5OCCO6)s4)ccn3)n2)c1.[Ru+2]
• InChI: InChI=1S/C31H19N3O6S3.C25H21F6N5S.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;1-2-3-4-5-6-16-9-10-17(37-16)8-7-15-11-18(20-13-22(35-33-20)24(26,27)28)32-19(12-15)21-14-23(36-34-21)25(29,30)31;/h1-8,11-17H,9-10H2;7-14H,2-6H2,1H3;/q;-2;+2/b;8-7+
• InChIKey: CLNVEEBRWXGHPH-BVUSFOFSSA-N
• XLogP: 14.74
• TPSA: 176.60 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1264.31
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) (CID 153435282) 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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) is CCCCCCc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

The InChIKey is CLNVEEBRWXGHPH-BVUSFOFSSA-N. The full InChI is InChI=1S/C31H19N3O6S3.C25H21F6N5S.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;1-2-3-4-5-6-16-9-10-17(37-16)8-7-15-11-18(20-13-22(35-33-20)24(26,27)28)32-19(12-15)21-14-23(36-34-21)25(29,30)31;/h1-8,11-17H,9-10H2;7-14H,2-6H2,1H3;/q;-2;+2/b;8-7+;.

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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) has a molecular weight of 1264.31 g/mol, XLogP of 14.74, 18 rotatable bonds, 0 hydrogen bond donors, and 16 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;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) is sourced from PubChem (CID 153435282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).