2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate

C98H66Cl2F3N17O14S — CID 159610669

IUPAC2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3ccc(C)cc3O)nc(-c3ccc4ncccc4c3O)n2)cc1.Cc1ccc(-c2nc(-c3cc(Cl)c(C#N)c(Cl)c3)nc(-c3ccccc3O)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C#N)c(S(C)(=O)=O)c3[N+](=O)[O-])n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C#N)cc3C(F)(F)F)n2)c(O)c1
InChIInChI=1S/C27H20N4O4.C24H15F3N4O2.C24H17N5O6S.C23H14Cl2N4O2/c1-15-5-10-19(22(32)14-15)25-29-24(16-6-8-17(9-7-16)27(34)35-2)30-26(31-25)20-11-12-21-18(23(20)33)4-3-13-28-21;1-13-6-8-17(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;1-13-7-9-16(19(31)11-13)23-26-22(15-5-3-4-6-18(15)30)27-24(28-23)17-10-8-14(12-25)21(36(2,34)35)20(17)29(32)33;1-12-6-7-15(20(31)8-12)23-28-21(13-9-17(24)16(11-26)18(25)10-13)27-22(29-23)14-4-2-3-5-19(14)30/h3-14,32-33H,1-2H3;2-11,32-33H,1H3;3-11,30-31H,1-2H3;2-10,30-31H,1H3
InChIKeyMMQPLWHXGPIUDZ-UHFFFAOYSA-N
MW1865.68 g/mol
LogP19.96
Rot. Bonds15

About 2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate

2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate (PubChem CID 159610669) has the molecular formula C98H66Cl2F3N17O14S and a molecular weight of 1865.68 g/mol. Its IUPAC name is 2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate.

Molecular Properties

Compound Name2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate
PubChem CID159610669
Molecular FormulaC98H66Cl2F3N17O14S
Molecular Weight1865.68 g/mol
Exact Mass1863.40
IUPAC Name2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3ccc(C)cc3O)nc(-c3ccc4ncccc4c3O)n2)cc1.Cc1ccc(-c2nc(-c3cc(Cl)c(C#N)c(Cl)c3)nc(-c3ccccc3O)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C#N)c(S(C)(=O)=O)c3[N+](=O)[O-])n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C#N)cc3C(F)(F)F)n2)c(O)c1
InChIInChI=1S/C27H20N4O4.C24H15F3N4O2.C24H17N5O6S.C23H14Cl2N4O2/c1-15-5-10-19(22(32)14-15)25-29-24(16-6-8-17(9-7-16)27(34)35-2)30-26(31-25)20-11-12-21-18(23(20)33)4-3-13-28-21;1-13-6-8-17(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;1-13-7-9-16(19(31)11-13)23-26-22(15-5-3-4-6-18(15)30)27-24(28-23)17-10-8-14(12-25)21(36(2,34)35)20(17)29(32)33;1-12-6-7-15(20(31)8-12)23-28-21(13-9-17(24)16(11-26)18(25)10-13)27-22(29-23)14-4-2-3-5-19(14)30/h3-14,32-33H,1-2H3;2-11,32-33H,1H3;3-11,30-31H,1-2H3;2-10,30-31H,1H3
InChIKeyMMQPLWHXGPIUDZ-UHFFFAOYSA-N
XLogP19.96
TPSA504.36 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001865.68
LogP ≤ 519.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate 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-[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]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(1-hydroxynaphthalen-2-yl)-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate
CID 157158505
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
2-[4-[3,5-Dichloro-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-methylsulfonyl-3-nitrobenzamide;4-[4-(2-hydroxy-4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]benzoate
CID 160818860

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate?
The IUPAC name of 2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate (CID 159610669) is 2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate.
What is the SMILES notation for 2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate?
The canonical SMILES for 2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate is COC(=O)c1ccc(-c2nc(-c3ccc(C)cc3O)nc(-c3ccc4ncccc4c3O)n2)cc1.Cc1ccc(-c2nc(-c3cc(Cl)c(C#N)c(Cl)c3)nc(-c3ccccc3O)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C#N)c(S(C)(=O)=O)c3[N+](=O)[O-])n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C#N)cc3C(F)(F)F)n2)c(O)c1.
What is the InChIKey of 2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate?
The InChIKey is MMQPLWHXGPIUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O4.C24H15F3N4O2.C24H17N5O6S.C23H14Cl2N4O2/c1-15-5-10-19(22(32)14-15)25-29-24(16-6-8-17(9-7-16)27(34)35-2)30-26(31-25)20-11-12-21-18(23(20)33)4-3-13-28-21;1-13-6-8-17(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;1-13-7-9-16(19(31)11-13)23-26-22(15-5-3-4-6-18(15)30)27-24(28-23)17-10-8-14(12-25)21(36(2,34)35)20(17)29(32)33;1-12-6-7-15(20(31)8-12)23-28-21(13-9-17(24)16(11-26)18(25)10-13)27-22(29-23)14-4-2-3-5-19(14)30/h3-14,32-33H,1-2H3;2-11,32-33H,1H3;3-11,30-31H,1-2H3;2-10,30-31H,1H3.
What are the key properties of 2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate?
2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate has a molecular weight of 1865.68 g/mol, XLogP of 19.96, 15 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-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-nitrobenzonitrile;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-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate is sourced from PubChem (CID 159610669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).