[2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)

C51H42F6N10O4RuS — CID 140780464

About [2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)

[2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+) (PubChem CID 140780464) has the molecular formula C51H42F6N10O4RuS and a molecular weight of 1106.09 g/mol. Its IUPAC name is [2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+).

Molecular Properties

• Compound Name: [2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)
• PubChem CID: 140780464
• Molecular Formula: C51H42F6N10O4RuS
• Molecular Weight: 1106.09 g/mol
• Exact Mass: 1106.21
• IUPAC Name: [2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-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)s1.CCCCCc1ccc(C#Cc2ccc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)nc2)cc1.[Ru+2]
• InChI: InChI=1S/C30H25N3O4.C21H17F6N7S.Ru/c1-2-3-4-5-22-6-8-23(9-7-22)10-11-24-12-13-27(32-19-24)29-17-26(37-21-35)18-30(33-29)28-16-25(36-20-34)14-15-31-28;1-2-3-4-5-6-11-7-8-14(35-11)19-29-17(12-9-15(33-31-12)20(22,23)24)28-18(30-19)13-10-16(34-32-13)21(25,26)27;/h6-9,12-21H,2-5H2,1H3;7-10H,2-6H2,1H3;/q;-2;+2
• InChIKey: OXVYWVLDDXBQOS-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 183.92 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1106.09
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)?

The IUPAC name of [2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+) (CID 140780464) is [2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-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-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)?

The canonical SMILES for [2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-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)s1.CCCCCc1ccc(C#Cc2ccc(-c3cc(OC=O)cc(-c4cc(OC=O)ccn4)n3)nc2)cc1.[Ru+2].

What is the InChIKey of [2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)?

The InChIKey is OXVYWVLDDXBQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4.C21H17F6N7S.Ru/c1-2-3-4-5-22-6-8-23(9-7-22)10-11-24-12-13-27(32-19-24)29-17-26(37-21-35)18-30(33-29)28-16-25(36-20-34)14-15-31-28;1-2-3-4-5-6-11-7-8-14(35-11)19-29-17(12-9-15(33-31-12)20(22,23)24)28-18(30-19)13-10-16(34-32-13)21(25,26)27;/h6-9,12-21H,2-5H2,1H3;7-10H,2-6H2,1H3;/q;-2;+2.

What are the key properties of [2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)?

[2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+) has a molecular weight of 1106.09 g/mol, XLogP of 11.20, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+) is sourced from PubChem (CID 140780464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).