2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate

C118H83Cl2F6N19O17S — CID 158578729

About 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate

2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate (PubChem CID 158578729) has the molecular formula C118H83Cl2F6N19O17S and a molecular weight of 2256.04 g/mol. Its IUPAC name is 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate.

Molecular Properties

• Compound Name: 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate
• PubChem CID: 158578729
• Molecular Formula: C118H83Cl2F6N19O17S
• Molecular Weight: 2256.04 g/mol
• Exact Mass: 2253.52
• IUPAC Name: 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate
• SMILES: COC(=O)c1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C)cc3O)n2)cc1.Cc1ccc(-c2nc(-c3cc(Cl)c(C(F)(F)F)c(Cl)c3)nc(-c3ccccc3O)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccc(C#N)cc3)nc(-c3ccccc3O)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C#N)cc3C(F)(F)F)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C(N)=O)c(S(C)(=O)=O)c3[N+](=O)[O-])n2)c(O)c1
• InChI: InChI=1S/C24H15F3N4O2.C24H19N5O7S.C24H19N3O4.C23H14Cl2F3N3O2.C23H16N4O2/c1-13-6-8-17(20(33)10-13)23-30-21(29-22(31-23)16-4-2-3-5-19(16)32)15-9-7-14(12-28)11-18(15)24(25,26)27;1-12-7-8-14(18(31)11-12)23-26-22(13-5-3-4-6-17(13)30)27-24(28-23)15-9-10-16(21(25)32)20(37(2,35)36)19(15)29(33)34;1-14-7-12-18(20(29)13-14)23-26-21(15-8-10-16(11-9-15)24(30)31-2)25-22(27-23)17-5-3-4-6-19(17)28;1-11-6-7-14(18(33)8-11)22-30-20(29-21(31-22)13-4-2-3-5-17(13)32)12-9-15(24)19(16(25)10-12)23(26,27)28;1-14-6-11-18(20(29)12-14)23-26-21(16-9-7-15(13-24)8-10-16)25-22(27-23)17-4-2-3-5-19(17)28/h2-11,32-33H,1H3;3-11,30-31H,1-2H3,(H2,25,32);3-13,28-29H,1-2H3;2-10,32-33H,1H3;2-12,28-29H,1H3
• InChIKey: HSZCQDUTRXTDPS-UHFFFAOYSA-N
• XLogP: 24.25
• TPSA: 589.90 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2256.04
LogP ≤ 5	24.25
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate?

The IUPAC name of 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate (CID 158578729) is 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate.

What is the SMILES notation for 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate?

The canonical SMILES for 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate is COC(=O)c1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C)cc3O)n2)cc1.Cc1ccc(-c2nc(-c3cc(Cl)c(C(F)(F)F)c(Cl)c3)nc(-c3ccccc3O)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccc(C#N)cc3)nc(-c3ccccc3O)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C#N)cc3C(F)(F)F)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C(N)=O)c(S(C)(=O)=O)c3[N+](=O)[O-])n2)c(O)c1.

What is the InChIKey of 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate?

The InChIKey is HSZCQDUTRXTDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O2.C24H19N5O7S.C24H19N3O4.C23H14Cl2F3N3O2.C23H16N4O2/c1-13-6-8-17(20(33)10-13)23-30-21(29-22(31-23)16-4-2-3-5-19(16)32)15-9-7-14(12-28)11-18(15)24(25,26)27;1-12-7-8-14(18(31)11-12)23-26-22(13-5-3-4-6-17(13)30)27-24(28-23)15-9-10-16(21(25)32)20(37(2,35)36)19(15)29(33)34;1-14-7-12-18(20(29)13-14)23-26-21(15-8-10-16(11-9-15)24(30)31-2)25-22(27-23)17-5-3-4-6-19(17)28;1-11-6-7-14(18(33)8-11)22-30-20(29-21(31-22)13-4-2-3-5-17(13)32)12-9-15(24)19(16(25)10-12)23(26,27)28;1-14-6-11-18(20(29)12-14)23-26-21(16-9-7-15(13-24)8-10-16)25-22(27-23)17-4-2-3-5-19(17)28/h2-11,32-33H,1H3;3-11,30-31H,1-2H3,(H2,25,32);3-13,28-29H,1-2H3;2-10,32-33H,1H3;2-12,28-29H,1H3.

What are the key properties of 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate?

2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate has a molecular weight of 2256.04 g/mol, XLogP of 24.25, 19 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzonitrile;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate is sourced from PubChem (CID 158578729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).