3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole

C26H19F6N — CID 102583040

IUPAC3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole
SMILESCc1ccc2ccccc2c1C1=C(c2c(C)n(C)c3ccccc23)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C26H19F6N/c1-14-12-13-16-8-4-5-9-17(16)20(14)22-23(25(29,30)26(31,32)24(22,27)28)21-15(2)33(3)19-11-7-6-10-18(19)21/h4-13H,1-3H3
InChIKeyRBTXWRIUANALBI-UHFFFAOYSA-N
MW459.43 g/mol
LogP7.78
Rot. Bonds2

About 3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole

3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole (PubChem CID 102583040) has the molecular formula C26H19F6N and a molecular weight of 459.43 g/mol. Its IUPAC name is 3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole.

Molecular Properties

Compound Name3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole
PubChem CID102583040
Molecular FormulaC26H19F6N
Molecular Weight459.43 g/mol
Exact Mass459.14
IUPAC Name3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole
SMILESCc1ccc2ccccc2c1C1=C(c2c(C)n(C)c3ccccc23)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C26H19F6N/c1-14-12-13-16-8-4-5-9-17(16)20(14)22-23(25(29,30)26(31,32)24(22,27)28)21-15(2)33(3)19-11-7-6-10-18(19)21/h4-13H,1-3H3
InChIKeyRBTXWRIUANALBI-UHFFFAOYSA-N
XLogP7.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.43
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
[2-(1,2-dimethylindol-3-yl)phenyl]methanol
CID 143270609
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82482608
ethane;1,2,3-trimethylindole
CID 91590745
1-butyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindole
CID 129295391
2-(2-methylnaphthalen-1-yl)-9-phenylcarbazole
CID 156896832
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine
CID 82292204
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine
CID 82039944

Frequently Asked Questions

What is the IUPAC name of 3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole?
The IUPAC name of 3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole (CID 102583040) is 3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole.
What is the SMILES notation for 3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole?
The canonical SMILES for 3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole is Cc1ccc2ccccc2c1C1=C(c2c(C)n(C)c3ccccc23)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole?
The InChIKey is RBTXWRIUANALBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F6N/c1-14-12-13-16-8-4-5-9-17(16)20(14)22-23(25(29,30)26(31,32)24(22,27)28)21-15(2)33(3)19-11-7-6-10-18(19)21/h4-13H,1-3H3.
What are the key properties of 3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole?
3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole has a molecular weight of 459.43 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-1,2-dimethylindole is sourced from PubChem (CID 102583040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).