3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran

C33H23F3O — CID 46187482

IUPAC3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran
SMILESFC(F)(F)c1c(-c2ccccc2)c(-c2ccccc2)cc2c1C(c1ccccc1)(c1ccccc1)OC2
InChIInChI=1S/C33H23F3O/c34-33(35,36)31-29(24-15-7-2-8-16-24)28(23-13-5-1-6-14-23)21-25-22-37-32(30(25)31,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-21H,22H2
InChIKeyNKCWUNBXDLBWBK-UHFFFAOYSA-N
MW492.54 g/mol
LogP8.86
Rot. Bonds4

About 3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran

3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran (PubChem CID 46187482) has the molecular formula C33H23F3O and a molecular weight of 492.54 g/mol. Its IUPAC name is 3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran.

Molecular Properties

Compound Name3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran
PubChem CID46187482
Molecular FormulaC33H23F3O
Molecular Weight492.54 g/mol
Exact Mass492.17
IUPAC Name3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran
SMILESFC(F)(F)c1c(-c2ccccc2)c(-c2ccccc2)cc2c1C(c1ccccc1)(c1ccccc1)OC2
InChIInChI=1S/C33H23F3O/c34-33(35,36)31-29(24-15-7-2-8-16-24)28(23-13-5-1-6-14-23)21-25-22-37-32(30(25)31,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-21H,22H2
InChIKeyNKCWUNBXDLBWBK-UHFFFAOYSA-N
XLogP8.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran 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 3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran?
The IUPAC name of 3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran (CID 46187482) is 3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran.
What is the SMILES notation for 3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran?
The canonical SMILES for 3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran is FC(F)(F)c1c(-c2ccccc2)c(-c2ccccc2)cc2c1C(c1ccccc1)(c1ccccc1)OC2.
What is the InChIKey of 3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran?
The InChIKey is NKCWUNBXDLBWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23F3O/c34-33(35,36)31-29(24-15-7-2-8-16-24)28(23-13-5-1-6-14-23)21-25-22-37-32(30(25)31,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-21H,22H2.
What are the key properties of 3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran?
3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran has a molecular weight of 492.54 g/mol, XLogP of 8.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,6-tetraphenyl-4-(trifluoromethyl)-1H-2-benzofuran is sourced from PubChem (CID 46187482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).