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

IUPAC4-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
SMILESCC(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
InChIInChI=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
InChIKeyUMPAXXJTDGKIFQ-UHFFFAOYSA-N
MW1122.00 g/mol
LogP17.99
Rot. Bonds5

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 Name4-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 CID139195313
Molecular FormulaC39H34F12N6OP2RuS4
Molecular Weight1122.00 g/mol
Exact Mass1122.00
IUPAC Name4-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
SMILESCC(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
InChIInChI=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
InChIKeyUMPAXXJTDGKIFQ-UHFFFAOYSA-N
XLogP17.99
TPSA94.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001122.00
LogP ≤ 517.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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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).