6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine

C26H24F3NOS — CID 134528065

IUPAC6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
SMILESCN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(C3CCCCC3)cccc12
InChIInChI=1S/C26H24F3NOS/c1-30(21-14-5-6-16-23(21)31-26(27,28)29)22-15-8-13-20-19-12-7-11-18(24(19)32-25(20)22)17-9-3-2-4-10-17/h5-8,11-17H,2-4,9-10H2,1H3
InChIKeyDPRIBKCXOMJHCS-UHFFFAOYSA-N
MW455.55 g/mol
LogP8.77
Rot. Bonds4

About 6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine

6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine (PubChem CID 134528065) has the molecular formula C26H24F3NOS and a molecular weight of 455.55 g/mol. Its IUPAC name is 6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
PubChem CID134528065
Molecular FormulaC26H24F3NOS
Molecular Weight455.55 g/mol
Exact Mass455.15
IUPAC Name6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
SMILESCN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(C3CCCCC3)cccc12
InChIInChI=1S/C26H24F3NOS/c1-30(21-14-5-6-16-23(21)31-26(27,28)29)22-15-8-13-20-19-12-7-11-18(24(19)32-25(20)22)17-9-3-2-4-10-17/h5-8,11-17H,2-4,9-10H2,1H3
InChIKeyDPRIBKCXOMJHCS-UHFFFAOYSA-N
XLogP8.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.55
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The IUPAC name of 6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine (CID 134528065) is 6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for 6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for 6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine is CN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(C3CCCCC3)cccc12.
What is the InChIKey of 6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The InChIKey is DPRIBKCXOMJHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3NOS/c1-30(21-14-5-6-16-23(21)31-26(27,28)29)22-15-8-13-20-19-12-7-11-18(24(19)32-25(20)22)17-9-3-2-4-10-17/h5-8,11-17H,2-4,9-10H2,1H3.
What are the key properties of 6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine has a molecular weight of 455.55 g/mol, XLogP of 8.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 134528065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).