4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

C₃₉H₃₄F₁₂N₆OP₂RuS₄ — CID 139195313

About 4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 139195313) has the molecular formula C₃₉H₃₄F₁₂N₆OP₂RuS₄ and a molecular weight of 1122.00 g/mol. Its IUPAC name is 4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: 4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
• PubChem CID: 139195313
• Molecular Formula: C₃₉H₃₄F₁₂N₆OP₂RuS₄
• Molecular Weight: 1122.00 g/mol
• Exact Mass: 1122.00
• IUPAC Name: 4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
• SMILES: CC(C)=O.Cc1nc(-c2nc(C)c(-c3cccs3)s2)sc1-c1cccs1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C16H12N2S4.2C10H8N2.C3H6O.2F6P.Ru/c1-9-13(11-5-3-7-19-11)21-15(17-9)16-18-10(2)14(22-16)12-6-4-8-20-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3(2)4;2*1-7(2,3,4,5)6;/h3-8H,1-2H3;2*1-8H;1-2H3;;;/q;;;;2*-1;+2
• InChIKey: UMPAXXJTDGKIFQ-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 94.41 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1122.00
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

The IUPAC name of 4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (CID 139195313) is 4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

What is the SMILES notation for 4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

The canonical SMILES for 4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is CC(C)=O.Cc1nc(-c2nc(C)c(-c3cccs3)s2)sc1-c1cccs1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

The InChIKey is UMPAXXJTDGKIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S4.2C10H8N2.C3H6O.2F6P.Ru/c1-9-13(11-5-3-7-19-11)21-15(17-9)16-18-10(2)14(22-16)12-6-4-8-20-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3(2)4;2*1-7(2,3,4,5)6;/h3-8H,1-2H3;2*1-8H;1-2H3;;;/q;;;;2*-1;+2.

What are the key properties of 4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 1122.00 g/mol, XLogP of 17.99, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139195313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139195313 — identifiers, structure, computed properties (public domain)

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