5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid

C177H129F21N14O17 — CID 160615883

IUPAC5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
SMILESCc1cc(C)cc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)c1.Cc1ccc(-c2cccc(-c3nc(-c4ccc(C(C)(C)C)cc4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccccc4C)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccoc4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1cccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)c1
InChIInChI=1S/C29H25F3N2O2.C27H21F3N2O2.2C26H19F3N2O2.3C23H15F3N2O3/c1-17-8-9-20(15-23(17)27(35)36)19-6-5-7-21(14-19)26-33-24(16-25(34-26)29(30,31)32)18-10-12-22(13-11-18)28(2,3)4;1-15-9-16(2)11-21(10-15)23-14-24(27(28,29)30)32-25(31-23)20-6-4-5-18(12-20)19-8-7-17(3)22(13-19)26(33)34;1-15-5-3-7-19(11-15)22-14-23(26(27,28)29)31-24(30-22)20-8-4-6-17(12-20)18-10-9-16(2)21(13-18)25(32)33;1-15-6-3-4-9-20(15)22-14-23(26(27,28)29)31-24(30-22)19-8-5-7-17(12-19)18-11-10-16(2)21(13-18)25(32)33;2*1-13-7-8-15(11-17(13)22(29)30)14-4-2-5-16(10-14)21-27-18(19-6-3-9-31-19)12-20(28-21)23(24,25)26;1-13-5-6-15(10-18(13)22(29)30)14-3-2-4-16(9-14)21-27-19(17-7-8-31-12-17)11-20(28-21)23(24,25)26/h5-16H,1-4H3,(H,35,36);4-14H,1-3H3,(H,33,34);2*3-14H,1-2H3,(H,32,33);3*2-12H,1H3,(H,29,30)
InChIKeyRGBSXBMXVONLGF-UHFFFAOYSA-N
MW3123.02 g/mol
LogP46.83
Rot. Bonds28

About 5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid

5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid (PubChem CID 160615883) has the molecular formula C177H129F21N14O17 and a molecular weight of 3123.02 g/mol. Its IUPAC name is 5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid.

Molecular Properties

Compound Name5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
PubChem CID160615883
Molecular FormulaC177H129F21N14O17
Molecular Weight3123.02 g/mol
Exact Mass3120.93
IUPAC Name5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
SMILESCc1cc(C)cc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)c1.Cc1ccc(-c2cccc(-c3nc(-c4ccc(C(C)(C)C)cc4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccccc4C)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccoc4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1cccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)c1
InChIInChI=1S/C29H25F3N2O2.C27H21F3N2O2.2C26H19F3N2O2.3C23H15F3N2O3/c1-17-8-9-20(15-23(17)27(35)36)19-6-5-7-21(14-19)26-33-24(16-25(34-26)29(30,31)32)18-10-12-22(13-11-18)28(2,3)4;1-15-9-16(2)11-21(10-15)23-14-24(27(28,29)30)32-25(31-23)20-6-4-5-18(12-20)19-8-7-17(3)22(13-19)26(33)34;1-15-5-3-7-19(11-15)22-14-23(26(27,28)29)31-24(30-22)20-8-4-6-17(12-20)18-10-9-16(2)21(13-18)25(32)33;1-15-6-3-4-9-20(15)22-14-23(26(27,28)29)31-24(30-22)19-8-5-7-17(12-19)18-11-10-16(2)21(13-18)25(32)33;2*1-13-7-8-15(11-17(13)22(29)30)14-4-2-5-16(10-14)21-27-18(19-6-3-9-31-19)12-20(28-21)23(24,25)26;1-13-5-6-15(10-18(13)22(29)30)14-3-2-4-16(9-14)21-27-19(17-7-8-31-12-17)11-20(28-21)23(24,25)26/h5-16H,1-4H3,(H,35,36);4-14H,1-3H3,(H,33,34);2*3-14H,1-2H3,(H,32,33);3*2-12H,1H3,(H,29,30)
InChIKeyRGBSXBMXVONLGF-UHFFFAOYSA-N
XLogP46.83
TPSA480.98 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003123.02
LogP ≤ 546.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid 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

US9969726, Example 88
CID 118577396
US9969726, Example 89
CID 118586639
5-Fluoro-2-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 118577208
5-[3-[4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid
CID 130288773
3-[3-[4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-5-methylbenzoic acid
CID 130288780
2-Fluoro-5-[3-[[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]benzoic acid
CID 130288844
Ethane;2-fluoro-5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 144977357
3-Fluoro-5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;4-fluoro-3-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 144977383
4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]pyrimidine;5-[3-[4-(furan-3-yl)-6-methylpyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(furan-3-yl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 157206494
5-[3-[4-(4-Tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,4-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(2-fluoro-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid
CID 157724279
2-fluoro-5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-N'-methylbenzenecarboximidamide;bis(1-[2-fluoro-5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one);3-[5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylphenyl]-2H-1,2,4-oxadiazole-5-thione;bis(3-[5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylphenyl]-4H-1,2,4-oxadiazol-5-one)
CID 157903426
3-[3-[4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-5-methylbenzoic acid;tris(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 158183503

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
The IUPAC name of 5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid (CID 160615883) is 5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid.
What is the SMILES notation for 5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
The canonical SMILES for 5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid is Cc1cc(C)cc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)c1.Cc1ccc(-c2cccc(-c3nc(-c4ccc(C(C)(C)C)cc4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccccc4C)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccoc4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1cccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)c1.
What is the InChIKey of 5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
The InChIKey is RGBSXBMXVONLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N2O2.C27H21F3N2O2.2C26H19F3N2O2.3C23H15F3N2O3/c1-17-8-9-20(15-23(17)27(35)36)19-6-5-7-21(14-19)26-33-24(16-25(34-26)29(30,31)32)18-10-12-22(13-11-18)28(2,3)4;1-15-9-16(2)11-21(10-15)23-14-24(27(28,29)30)32-25(31-23)20-6-4-5-18(12-20)19-8-7-17(3)22(13-19)26(33)34;1-15-5-3-7-19(11-15)22-14-23(26(27,28)29)31-24(30-22)20-8-4-6-17(12-20)18-10-9-16(2)21(13-18)25(32)33;1-15-6-3-4-9-20(15)22-14-23(26(27,28)29)31-24(30-22)19-8-5-7-17(12-19)18-11-10-16(2)21(13-18)25(32)33;2*1-13-7-8-15(11-17(13)22(29)30)14-4-2-5-16(10-14)21-27-18(19-6-3-9-31-19)12-20(28-21)23(24,25)26;1-13-5-6-15(10-18(13)22(29)30)14-3-2-4-16(9-14)21-27-19(17-7-8-31-12-17)11-20(28-21)23(24,25)26/h5-16H,1-4H3,(H,35,36);4-14H,1-3H3,(H,33,34);2*3-14H,1-2H3,(H,32,33);3*2-12H,1H3,(H,29,30).
What are the key properties of 5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid has a molecular weight of 3123.02 g/mol, XLogP of 46.83, 28 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid is sourced from PubChem (CID 160615883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).