3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid

C29H23F3O2 — CID 23018914

IUPAC3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid
SMILESCc1cc(C)c(-c2c(C(=O)O)cc(-c3ccccc3)c(C(F)(F)F)c2-c2ccccc2)c(C)c1
InChIInChI=1S/C29H23F3O2/c1-17-14-18(2)24(19(3)15-17)26-23(28(33)34)16-22(20-10-6-4-7-11-20)27(29(30,31)32)25(26)21-12-8-5-9-13-21/h4-16H,1-3H3,(H,33,34)
InChIKeyANMOSSJGHBYUHU-UHFFFAOYSA-N
MW460.50 g/mol
LogP8.33
Rot. Bonds4

About 3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid

3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid (PubChem CID 23018914) has the molecular formula C29H23F3O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is 3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid.

Molecular Properties

Compound Name3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid
PubChem CID23018914
Molecular FormulaC29H23F3O2
Molecular Weight460.50 g/mol
Exact Mass460.17
IUPAC Name3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid
SMILESCc1cc(C)c(-c2c(C(=O)O)cc(-c3ccccc3)c(C(F)(F)F)c2-c2ccccc2)c(C)c1
InChIInChI=1S/C29H23F3O2/c1-17-14-18(2)24(19(3)15-17)26-23(28(33)34)16-22(20-10-6-4-7-11-20)27(29(30,31)32)25(26)21-12-8-5-9-13-21/h4-16H,1-3H3,(H,33,34)
InChIKeyANMOSSJGHBYUHU-UHFFFAOYSA-N
XLogP8.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene
CID 173305938
2-methyl-4-phenyl-3-(trifluoromethyl)benzoic acid
CID 67541759
4,5-diphenylbenzene-1,2,3-tricarboxylic acid
CID 91377985
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid
CID 175158556
4-methyl-2,6-diphenyl-3-(2,4,6-trimethylphenyl)benzenesulfonic acid
CID 87124199
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
3,4,5-tris(4-methylphenyl)phthalic acid
CID 19903031
2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc
CID 58652419
4-phenyl-2,6-bis(2,4,6-trimethylphenyl)phenol
CID 140656741
2-methyl-3,4-diphenylbenzoic acid
CID 118554966
5-methyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119020616

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid?
The IUPAC name of 3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid (CID 23018914) is 3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid.
What is the SMILES notation for 3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid?
The canonical SMILES for 3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid is Cc1cc(C)c(-c2c(C(=O)O)cc(-c3ccccc3)c(C(F)(F)F)c2-c2ccccc2)c(C)c1.
What is the InChIKey of 3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid?
The InChIKey is ANMOSSJGHBYUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3O2/c1-17-14-18(2)24(19(3)15-17)26-23(28(33)34)16-22(20-10-6-4-7-11-20)27(29(30,31)32)25(26)21-12-8-5-9-13-21/h4-16H,1-3H3,(H,33,34).
What are the key properties of 3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid?
3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid has a molecular weight of 460.50 g/mol, XLogP of 8.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid is sourced from PubChem (CID 23018914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).