[2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide

C56H46F3N7O6RuS4 — CID 153435247

About [2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide

[2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide (PubChem CID 153435247) has the molecular formula C56H46F3N7O6RuS4 and a molecular weight of 1199.36 g/mol. Its IUPAC name is [2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide.

Molecular Properties

• Compound Name: [2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide
• PubChem CID: 153435247
• Molecular Formula: C56H46F3N7O6RuS4
• Molecular Weight: 1199.36 g/mol
• Exact Mass: 1199.14
• IUPAC Name: [2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide
• SMILES: CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCOc1c2ccsc2c(OCC)c2cc(-c3ccc(-c4ccnc(-c5cc(OC=O)cc(-c6cc(OC=O)ccn6)n5)c4)s3)sc12.[C-]#N.[Ru+2]
• InChI: InChI=1S/C36H27N3O6S3.C19H19F3N3S.CN.Ru/c1-3-12-43-33-24-9-13-46-35(24)34(42-4-2)25-18-32(48-36(25)33)31-6-5-30(47-31)21-7-10-37-26(14-21)28-16-23(45-20-41)17-29(39-28)27-15-22(44-19-40)8-11-38-27;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;1-2;/h5-11,13-20H,3-4,12H2,1-2H3;7-12H,2-6H2,1H3;;/q;2*-1;+2
• InChIKey: YNZRAXBSDNWOHK-UHFFFAOYSA-N
• XLogP: 15.35
• TPSA: 173.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1199.36
LogP ≤ 5	15.35
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'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide?

The IUPAC name of [2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide (CID 153435247) is [2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide.

What is the SMILES notation for [2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide?

The canonical SMILES for [2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide is CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCOc1c2ccsc2c(OCC)c2cc(-c3ccc(-c4ccnc(-c5cc(OC=O)cc(-c6cc(OC=O)ccn6)n5)c4)s3)sc12.[C-]#N.[Ru+2].

What is the InChIKey of [2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide?

The InChIKey is YNZRAXBSDNWOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3O6S3.C19H19F3N3S.CN.Ru/c1-3-12-43-33-24-9-13-46-35(24)34(42-4-2)25-18-32(48-36(25)33)31-6-5-30(47-31)21-7-10-37-26(14-21)28-16-23(45-20-41)17-29(39-28)27-15-22(44-19-40)8-11-38-27;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;1-2;/h5-11,13-20H,3-4,12H2,1-2H3;7-12H,2-6H2,1H3;;/q;2*-1;+2.

What are the key properties of [2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide?

[2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide has a molecular weight of 1199.36 g/mol, XLogP of 15.35, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-[4-[5-(4-ethoxy-8-propoxythieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);cyanide is sourced from PubChem (CID 153435247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).