4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol

C25H18F6OS — CID 10743337

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol
SMILESOC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C=C(c2ccccc2)SC(c2ccccc2)C1
InChIInChI=1S/C25H18F6OS/c26-24(27,28)19-11-18(12-20(13-19)25(29,30)31)23(32)14-21(16-7-3-1-4-8-16)33-22(15-23)17-9-5-2-6-10-17/h1-14,22,32H,15H2
InChIKeyYNCZHEGUVYXFDT-UHFFFAOYSA-N
MW480.47 g/mol
LogP7.83
Rot. Bonds3

About 4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol

4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol (PubChem CID 10743337) has the molecular formula C25H18F6OS and a molecular weight of 480.47 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol
PubChem CID10743337
Molecular FormulaC25H18F6OS
Molecular Weight480.47 g/mol
Exact Mass480.10
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol
SMILESOC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C=C(c2ccccc2)SC(c2ccccc2)C1
InChIInChI=1S/C25H18F6OS/c26-24(27,28)19-11-18(12-20(13-19)25(29,30)31)23(32)14-21(16-7-3-1-4-8-16)33-22(15-23)17-9-5-2-6-10-17/h1-14,22,32H,15H2
InChIKeyYNCZHEGUVYXFDT-UHFFFAOYSA-N
XLogP7.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.47
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol 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 4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol (CID 10743337) is 4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol is OC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C=C(c2ccccc2)SC(c2ccccc2)C1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol?
The InChIKey is YNCZHEGUVYXFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6OS/c26-24(27,28)19-11-18(12-20(13-19)25(29,30)31)23(32)14-21(16-7-3-1-4-8-16)33-22(15-23)17-9-5-2-6-10-17/h1-14,22,32H,15H2.
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol?
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol has a molecular weight of 480.47 g/mol, XLogP of 7.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]-2,6-diphenyl-2,3-dihydrothiopyran-4-ol is sourced from PubChem (CID 10743337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).