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

C167H113F21N14O18S — CID 158183503

IUPAC3-[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
SMILESCc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c2)c1.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(-c4ccco4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4cccs4)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/2C26H19F3N2O2.4C23H15F3N2O3.C23H15F3N2O2S/c1-15-5-3-7-19(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;3*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;1-13-8-16(11-17(9-13)22(29)30)14-4-2-5-15(10-14)21-27-18(19-6-3-7-31-19)12-20(28-21)23(24,25)26;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/h2*3-14H,1-2H3,(H,32,33);5*2-12H,1H3,(H,29,30)
InChIKeyFYWKSOHZXVCMFF-UHFFFAOYSA-N
MW3034.85 g/mol
LogP44.57
Rot. Bonds28

About 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

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 (PubChem CID 158183503) has the molecular formula C167H113F21N14O18S and a molecular weight of 3034.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID158183503
Molecular FormulaC167H113F21N14O18S
Molecular Weight3034.85 g/mol
Exact Mass3032.77
IUPAC Name3-[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
SMILESCc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c2)c1.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(-c4ccco4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4cccs4)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/2C26H19F3N2O2.4C23H15F3N2O3.C23H15F3N2O2S/c1-15-5-3-7-19(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;3*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;1-13-8-16(11-17(9-13)22(29)30)14-4-2-5-15(10-14)21-27-18(19-6-3-7-31-19)12-20(28-21)23(24,25)26;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/h2*3-14H,1-2H3,(H,32,33);5*2-12H,1H3,(H,29,30)
InChIKeyFYWKSOHZXVCMFF-UHFFFAOYSA-N
XLogP44.57
TPSA494.12 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003034.85
LogP ≤ 544.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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Related Compounds

CID 157454770
CID 157454770
5,21-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,12,17(22),18,20-nonaene;N-phenyl-1-(3-pyridin-2-ylphenyl)ethanimine;N-phenyl-1-(3-pyridin-2-ylphenyl)methanimine;N-phenyl-1-(5-pyridin-2-ylthiophen-3-yl)methanimine;9-pyridin-2-yl-5,6-dihydrobenzo[h]quinoline;2-(4-pyridin-2-ylfuran-2-yl)pyridine;2-(3-pyridin-2-ylphenyl)pyridine;2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]pyrimidine
CID 157645742
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
CID 158690568
CID 158690568
(5Z)-5-[[2-[[4-[[6-(furan-2-yl)-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-(furan-3-yl)-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;bis((5Z)-5-[[2-[[4-[(6-thiophen-2-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione);(5Z)-5-[[2-[[4-[(6-thiophen-3-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 159037532
2-[3-(2-Chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-fluoro-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;3-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-5-methylbenzoic acid;5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-phenyl-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 159216710
CID 159427265
CID 159427265
2-[3-(4-fluoro-3-methylphenyl)phenoxy]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine;N-[3-(4-fluoro-3-methylphenyl)phenyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine;2-[3-(4-fluoro-3-methylphenyl)phenyl]sulfanyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine;3-[3-[4-(furan-3-yl)-6-methylpyrimidin-2-yl]phenyl]-5-methylbenzoic acid;4-(6-methyl-3-pyridinyl)-2-[3-[4-methyl-3-(2H-tetrazol-5-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-thiophen-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 160151150
2-[3-(2-Fluoro-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;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-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-phenyl-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 160295424
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
5-[3-[4-(1-Benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-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-(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;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 161136738
2-[4-[4-[4,6-Bis(furan-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(furan-2-yl)-1,3,5-triazine;2-[4-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine;2-[4-[4-[4,6-di(thiophen-3-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-di(thiophen-3-yl)-1,3,5-triazine
CID 161280442

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c2)c1.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(-c4ccco4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4cccs4)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 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?
The InChIKey is FYWKSOHZXVCMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H19F3N2O2.4C23H15F3N2O3.C23H15F3N2O2S/c1-15-5-3-7-19(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;3*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;1-13-8-16(11-17(9-13)22(29)30)14-4-2-5-15(10-14)21-27-18(19-6-3-7-31-19)12-20(28-21)23(24,25)26;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/h2*3-14H,1-2H3,(H,32,33);5*2-12H,1H3,(H,29,30).
What are the key properties of 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?
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 has a molecular weight of 3034.85 g/mol, XLogP of 44.57, 28 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158183503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).