2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine

C24H19F6NS — CID 139183424

IUPAC2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine
SMILESCc1cc(C2=C(c3nc(-c4ccccc4)c(C)cc3C)C(F)(F)C(F)(F)C2(F)F)c(C)s1
InChIInChI=1S/C24H19F6NS/c1-12-10-13(2)21(31-20(12)16-8-6-5-7-9-16)19-18(17-11-14(3)32-15(17)4)22(25,26)24(29,30)23(19,27)28/h5-11H,1-4H3
InChIKeyJJCNTQKZFHOTMA-UHFFFAOYSA-N
MW467.48 g/mol
LogP7.87
Rot. Bonds3

About 2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine

2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine (PubChem CID 139183424) has the molecular formula C24H19F6NS and a molecular weight of 467.48 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine.

Molecular Properties

Compound Name2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine
PubChem CID139183424
Molecular FormulaC24H19F6NS
Molecular Weight467.48 g/mol
Exact Mass467.11
IUPAC Name2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine
SMILESCc1cc(C2=C(c3nc(-c4ccccc4)c(C)cc3C)C(F)(F)C(F)(F)C2(F)F)c(C)s1
InChIInChI=1S/C24H19F6NS/c1-12-10-13(2)21(31-20(12)16-8-6-5-7-9-16)19-18(17-11-14(3)32-15(17)4)22(25,26)24(29,30)23(19,27)28/h5-11H,1-4H3
InChIKeyJJCNTQKZFHOTMA-UHFFFAOYSA-N
XLogP7.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.48
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine with MolForge

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Related Compounds

2-Methyl-6-(3-thiophen-2-yl-phenylethynyl)-pyridine
CID 44392418
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CID 44416005
2,2-difluoro-12-[(E)-2-[5-(4-iodophenyl)thiophen-2-yl]ethenyl]-4,6-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
CID 49798543
[125I]Bodipy7
CID 49798544
5-Methylsulfanyl-4-(6-phenyl-pyridin-2-yl)-thiophene-2-carboxamidine
CID 18536965
2-[(4-Fluorobenzyl)sulfanyl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4395410
2-(4-Fluorophenyl)-6-phenyl-4-thiophen-2-ylpyridine
CID 317124
2,4,6-Trithiophen-2-ylpyridine
CID 2804907
Thiazole, 4,5-diphenyl-2-(trifluoromethyl)-
CID 13015386
2-Phenyl-6-(2-thienyl)pyridine
CID 15423030
1-(2-Methyl-5-phenyl-3-thienyl)-2-(2-phenyl-5-methyl-4-thiazolyl)-3,3,4,4,5,5-hexafluorocyclopentene
CID 16753236
5,5-Difluoro-1,3,7,9-tetramethyl-10-(2-thienyl)-5H-dipyrrolo[1,2-c:2 inverted exclamation mark,1 inverted exclamation mark-f][1,3,2]diazaborinin-4-ium-5-uide
CID 73356740

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine?
The IUPAC name of 2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine (CID 139183424) is 2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine.
What is the SMILES notation for 2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine?
The canonical SMILES for 2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine is Cc1cc(C2=C(c3nc(-c4ccccc4)c(C)cc3C)C(F)(F)C(F)(F)C2(F)F)c(C)s1.
What is the InChIKey of 2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine?
The InChIKey is JJCNTQKZFHOTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6NS/c1-12-10-13(2)21(31-20(12)16-8-6-5-7-9-16)19-18(17-11-14(3)32-15(17)4)22(25,26)24(29,30)23(19,27)28/h5-11H,1-4H3.
What are the key properties of 2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine?
2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine has a molecular weight of 467.48 g/mol, XLogP of 7.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-phenylpyridine is sourced from PubChem (CID 139183424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).