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

C53H30F6N8O7RuS3 — CID 153435222

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-prop-1-ynylfuran-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-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) (PubChem CID 153435222) has the molecular formula C53H30F6N8O7RuS3 and a molecular weight of 1202.13 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-prop-1-ynylfuran-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-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
• PubChem CID: 153435222
• Molecular Formula: C53H30F6N8O7RuS3
• Molecular Weight: 1202.13 g/mol
• Exact Mass: 1202.03
• 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-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
• SMILES: CC#Cc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)o1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(-c4ccc(-c5sc(-c6cccs6)c6c5OCCO6)s4)ccn3)n2)c1.[Ru+2]
• InChI: InChI=1S/C31H19N3O6S3.C22H11F6N5O.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;1-2-3-13-6-7-14(34-13)5-4-12-8-15(17-10-19(32-30-17)21(23,24)25)29-16(9-12)18-11-20(33-31-18)22(26,27)28;/h1-8,11-17H,9-10H2;4-11H,1H3;/q;-2;+2/b;5-4+
• InChIKey: ASJAUZYFGRIFJE-YHVJRZKVSA-N
• XLogP: 12.52
• TPSA: 189.74 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1202.13
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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-prop-1-ynylfuran-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-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) (CID 153435222) 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-prop-1-ynylfuran-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-prop-1-ynylfuran-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-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) is CC#Cc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)o1.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-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

The InChIKey is ASJAUZYFGRIFJE-YHVJRZKVSA-N. The full InChI is InChI=1S/C31H19N3O6S3.C22H11F6N5O.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;1-2-3-13-6-7-14(34-13)5-4-12-8-15(17-10-19(32-30-17)21(23,24)25)29-16(9-12)18-11-20(33-31-18)22(26,27)28;/h1-8,11-17H,9-10H2;4-11H,1H3;/q;-2;+2/b;5-4+;.

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-prop-1-ynylfuran-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-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) has a molecular weight of 1202.13 g/mol, XLogP of 12.52, 13 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-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) is sourced from PubChem (CID 153435222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).