2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene

C29H24F4 — CID 91411014

IUPAC2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)cc2C(F)(F)F)cc1
InChIInChI=1S/C29H24F4/c1-3-4-20-7-11-21(12-8-20)25-15-13-23(17-27(25)29(31,32)33)24-14-16-26(28(30)18-24)22-9-5-19(2)6-10-22/h5-18H,3-4H2,1-2H3
InChIKeyMQLIBFLSZRBOGG-UHFFFAOYSA-N
MW448.50 g/mol
LogP9.11
Rot. Bonds5

About 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene

2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene (PubChem CID 91411014) has the molecular formula C29H24F4 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene
PubChem CID91411014
Molecular FormulaC29H24F4
Molecular Weight448.50 g/mol
Exact Mass448.18
IUPAC Name2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)cc2C(F)(F)F)cc1
InChIInChI=1S/C29H24F4/c1-3-4-20-7-11-21(12-8-20)25-15-13-23(17-27(25)29(31,32)33)24-14-16-26(28(30)18-24)22-9-5-19(2)6-10-22/h5-18H,3-4H2,1-2H3
InChIKeyMQLIBFLSZRBOGG-UHFFFAOYSA-N
XLogP9.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.50
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
1,4-bis(4-butylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-propylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-(4-pentylphenyl)benzene;2-fluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 159443405
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 134236074
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 144644200
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene
CID 174355858
4-[2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]ethyl]-N-propylaniline
CID 134560954
2,6-difluoro-4-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]aniline
CID 134427958
1-fluoro-5-[2-[4-[2-[4-(2-fluoro-4-methylphenyl)phenyl]ethyl]phenyl]ethynyl]-4-propyl-2-(trifluoromethyl)benzene
CID 134377847

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene (CID 91411014) is 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene is CCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)cc2C(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene?
The InChIKey is MQLIBFLSZRBOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F4/c1-3-4-20-7-11-21(12-8-20)25-15-13-23(17-27(25)29(31,32)33)24-14-16-26(28(30)18-24)22-9-5-19(2)6-10-22/h5-18H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene?
2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene has a molecular weight of 448.50 g/mol, XLogP of 9.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 91411014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).