6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole

C26H19F6NS — CID 59080059

IUPAC6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole
SMILESC=Cc1ccc2c(C3=C(c4c(C)sc5ccccc45)C(F)(F)C(F)(F)C3(F)F)c(C)n(C)c2c1
InChIInChI=1S/C26H19F6NS/c1-5-15-10-11-16-18(12-15)33(4)13(2)20(16)22-23(25(29,30)26(31,32)24(22,27)28)21-14(3)34-19-9-7-6-8-17(19)21/h5-12H,1H2,2-4H3
InChIKeyFUPJMCNCKMXSEY-UHFFFAOYSA-N
MW491.50 g/mol
LogP8.48
Rot. Bonds3

About 6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole

6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole (PubChem CID 59080059) has the molecular formula C26H19F6NS and a molecular weight of 491.50 g/mol. Its IUPAC name is 6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole.

Molecular Properties

Compound Name6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole
PubChem CID59080059
Molecular FormulaC26H19F6NS
Molecular Weight491.50 g/mol
Exact Mass491.11
IUPAC Name6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole
SMILESC=Cc1ccc2c(C3=C(c4c(C)sc5ccccc45)C(F)(F)C(F)(F)C3(F)F)c(C)n(C)c2c1
InChIInChI=1S/C26H19F6NS/c1-5-15-10-11-16-18(12-15)33(4)13(2)20(16)22-23(25(29,30)26(31,32)24(22,27)28)21-14(3)34-19-9-7-6-8-17(19)21/h5-12H,1H2,2-4H3
InChIKeyFUPJMCNCKMXSEY-UHFFFAOYSA-N
XLogP8.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.50
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[(1-methyl-1H-indol-3-yl)(thien-2-yl)methyl]-1H-indole
CID 5087383
Dimethyl-[2-(6-thiophen-3-yl-indol-1-yl)-ethyl]-amine
CID 18007589
2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
CID 118908760
2-phenyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
CID 118908931
1-[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]-N-methylmethanamine
CID 138376573
8-Fluoro-11-methyl-6,11-dihydrothiochromeno[4,3-b]indole
CID 44411729
2,8-Bis(9H-carbazol-9-yl)dibenzothiophene
CID 59348313
8-Fluoro-11-methyl-3-(trifluoromethyl)-6,11-dihydrothiochromeno[4,3-b]indole
CID 44411760
3,8-difluoro-11-methyl-6H-thiochromeno[4,3-b]indole
CID 44411731
6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
CID 118908776
1-ethyl-2-[(E)-(1-ethylquinolin-2-ylidene)methyl]-[1]benzothiolo[3,2-b]pyridin-1-ium iodide
CID 45488432
1-Ethyl-2-[(1-ethylquinolin-2-ylidene)methyl]-[1]benzothiolo[3,2-b]pyridin-1-ium
CID 4525139

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole?
The IUPAC name of 6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole (CID 59080059) is 6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole.
What is the SMILES notation for 6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole?
The canonical SMILES for 6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole is C=Cc1ccc2c(C3=C(c4c(C)sc5ccccc45)C(F)(F)C(F)(F)C3(F)F)c(C)n(C)c2c1.
What is the InChIKey of 6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole?
The InChIKey is FUPJMCNCKMXSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F6NS/c1-5-15-10-11-16-18(12-15)33(4)13(2)20(16)22-23(25(29,30)26(31,32)24(22,27)28)21-14(3)34-19-9-7-6-8-17(19)21/h5-12H,1H2,2-4H3.
What are the key properties of 6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole?
6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole has a molecular weight of 491.50 g/mol, XLogP of 8.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole is sourced from PubChem (CID 59080059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).