1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene

C38H25ClF4O — CID 57184734

IUPAC1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene
SMILESCCOc1ccc(-c2c(F)c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C38H25ClF4O/c1-2-44-32-21-11-27(12-22-32)37-35(25-7-17-30(41)18-8-25)33(23-3-13-28(39)14-4-23)34(24-5-15-29(40)16-6-24)36(38(37)43)26-9-19-31(42)20-10-26/h3-22H,2H2,1H3
InChIKeyIDGMOCXEGZVOKZ-UHFFFAOYSA-N
MW609.06 g/mol
LogP11.63
Rot. Bonds7

About 1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene

1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene (PubChem CID 57184734) has the molecular formula C38H25ClF4O and a molecular weight of 609.06 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene
PubChem CID57184734
Molecular FormulaC38H25ClF4O
Molecular Weight609.06 g/mol
Exact Mass608.15
IUPAC Name1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene
SMILESCCOc1ccc(-c2c(F)c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C38H25ClF4O/c1-2-44-32-21-11-27(12-22-32)37-35(25-7-17-30(41)18-8-25)33(23-3-13-28(39)14-4-23)34(24-5-15-29(40)16-6-24)36(38(37)43)26-9-19-31(42)20-10-26/h3-22H,2H2,1H3
InChIKeyIDGMOCXEGZVOKZ-UHFFFAOYSA-N
XLogP11.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.06
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene 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 1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene (CID 57184734) is 1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene is CCOc1ccc(-c2c(F)c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene?
The InChIKey is IDGMOCXEGZVOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25ClF4O/c1-2-44-32-21-11-27(12-22-32)37-35(25-7-17-30(41)18-8-25)33(23-3-13-28(39)14-4-23)34(24-5-15-29(40)16-6-24)36(38(37)43)26-9-19-31(42)20-10-26/h3-22H,2H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene?
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene has a molecular weight of 609.06 g/mol, XLogP of 11.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-fluoro-2,5,6-tris(4-fluorophenyl)benzene is sourced from PubChem (CID 57184734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).