5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole

C23H23F3N2 — CID 176897889

IUPAC5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
SMILESCCCCC(c1c[nH]c2ccccc12)(c1c[nH]c2ccc(C)cc12)C(F)(F)F
InChIInChI=1S/C23H23F3N2/c1-3-4-11-22(23(24,25)26,18-13-27-20-8-6-5-7-16(18)20)19-14-28-21-10-9-15(2)12-17(19)21/h5-10,12-14,27-28H,3-4,11H2,1-2H3
InChIKeyHFKCGLNPARAPND-UHFFFAOYSA-N
MW384.45 g/mol
LogP7.00
Rot. Bonds5

About 5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole

5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole (PubChem CID 176897889) has the molecular formula C23H23F3N2 and a molecular weight of 384.45 g/mol. Its IUPAC name is 5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole.

Molecular Properties

Compound Name5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
PubChem CID176897889
Molecular FormulaC23H23F3N2
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
SMILESCCCCC(c1c[nH]c2ccccc12)(c1c[nH]c2ccc(C)cc12)C(F)(F)F
InChIInChI=1S/C23H23F3N2/c1-3-4-11-22(23(24,25)26,18-13-27-20-8-6-5-7-16(18)20)19-14-28-21-10-9-15(2)12-17(19)21/h5-10,12-14,27-28H,3-4,11H2,1-2H3
InChIKeyHFKCGLNPARAPND-UHFFFAOYSA-N
XLogP7.00
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole with MolForge

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Related Compounds

5-bromo-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
CID 176897891
6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
CID 176897884
2-(1H-indol-3-yl)-2-(5-methyl-1H-indol-3-yl)undecan-4-one
CID 101372934
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
3-(1,1-difluoropropyl)-1H-indole
CID 116841267
3-(2,2-dimethylhexyl)-1H-indole
CID 70819800
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole
CID 72793438
2,2-difluoro-2-(1H-indol-3-yl)ethanol
CID 116841147
2,2,2-tris(1H-indol-3-yl)ethanol
CID 146232723
3-[(2S)-1,1,1-trifluoro-3-nitro-2-[4-(trifluoromethyl)phenyl]propan-2-yl]-1H-indole
CID 146169161
(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol
CID 51922084

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole?
The IUPAC name of 5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole (CID 176897889) is 5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole.
What is the SMILES notation for 5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole?
The canonical SMILES for 5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole is CCCCC(c1c[nH]c2ccccc12)(c1c[nH]c2ccc(C)cc12)C(F)(F)F.
What is the InChIKey of 5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole?
The InChIKey is HFKCGLNPARAPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2/c1-3-4-11-22(23(24,25)26,18-13-27-20-8-6-5-7-16(18)20)19-14-28-21-10-9-15(2)12-17(19)21/h5-10,12-14,27-28H,3-4,11H2,1-2H3.
What are the key properties of 5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole?
5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole has a molecular weight of 384.45 g/mol, XLogP of 7.00, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole is sourced from PubChem (CID 176897889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).