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

C98H68Cl2F6N16O11S — CID 160818860

IUPAC2-[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
SMILESCOC(=O)c1ccc(-c2nc(-c3ccc4ncccc4c3)nc(-c3ccc(C)cc3O)n2)cc1.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(Cl)c(C(F)(F)F)c(Cl)c3)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C#N)cc3C(F)(F)F)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C(N)=O)c(S(C)(=O)=O)c3[N+](=O)[O-])n2)c(O)c1
InChIInChI=1S/C27H20N4O3.C24H15F3N4O.C24H19N5O6S.C23H14Cl2F3N3O/c1-16-5-11-21(23(32)14-16)26-30-24(17-6-8-18(9-7-17)27(33)34-2)29-25(31-26)20-10-12-22-19(15-20)4-3-13-28-22;1-14-7-9-18(20(32)11-14)23-30-21(16-5-3-2-4-6-16)29-22(31-23)17-10-8-15(13-28)12-19(17)24(25,26)27;1-13-8-9-15(18(30)12-13)23-26-22(14-6-4-3-5-7-14)27-24(28-23)16-10-11-17(21(25)31)20(36(2,34)35)19(16)29(32)33;1-12-7-8-15(18(32)9-12)22-30-20(13-5-3-2-4-6-13)29-21(31-22)14-10-16(24)19(17(25)11-14)23(26,27)28/h3-15,32H,1-2H3;2-12,32H,1H3;3-12,30H,1-2H3,(H2,25,31);2-11,32H,1H3
InChIKeySFGPYIZAYHRVJM-UHFFFAOYSA-N
MW1862.68 g/mol
LogP21.51
Rot. Bonds16

About 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

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 (PubChem CID 160818860) has the molecular formula C98H68Cl2F6N16O11S and a molecular weight of 1862.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160818860
Molecular FormulaC98H68Cl2F6N16O11S
Molecular Weight1862.68 g/mol
Exact Mass1860.43
IUPAC Name2-[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
SMILESCOC(=O)c1ccc(-c2nc(-c3ccc4ncccc4c3)nc(-c3ccc(C)cc3O)n2)cc1.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(Cl)c(C(F)(F)F)c(Cl)c3)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C#N)cc3C(F)(F)F)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C(N)=O)c(S(C)(=O)=O)c3[N+](=O)[O-])n2)c(O)c1
InChIInChI=1S/C27H20N4O3.C24H15F3N4O.C24H19N5O6S.C23H14Cl2F3N3O/c1-16-5-11-21(23(32)14-16)26-30-24(17-6-8-18(9-7-17)27(33)34-2)29-25(31-26)20-10-12-22-19(15-20)4-3-13-28-22;1-14-7-9-18(20(32)11-14)23-30-21(16-5-3-2-4-6-16)29-22(31-23)17-10-8-15(13-28)12-19(17)24(25,26)27;1-13-8-9-15(18(30)12-13)23-26-22(14-6-4-3-5-7-14)27-24(28-23)16-10-11-17(21(25)31)20(36(2,34)35)19(16)29(32)33;1-12-7-8-15(18(32)9-12)22-30-20(13-5-3-2-4-6-13)29-21(31-22)14-10-16(24)19(17(25)11-14)23(26,27)28/h3-15,32H,1-2H3;2-12,32H,1H3;3-12,30H,1-2H3,(H2,25,31);2-11,32H,1H3
InChIKeySFGPYIZAYHRVJM-UHFFFAOYSA-N
XLogP21.51
TPSA418.95 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001862.68
LogP ≤ 521.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
2,6-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1ccc(-c2nc(-c3ccc4ncccc4c3)nc(-c3ccc(C)cc3O)n2)cc1.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(Cl)c(C(F)(F)F)c(Cl)c3)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C#N)cc3C(F)(F)F)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3)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-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?
The InChIKey is SFGPYIZAYHRVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O3.C24H15F3N4O.C24H19N5O6S.C23H14Cl2F3N3O/c1-16-5-11-21(23(32)14-16)26-30-24(17-6-8-18(9-7-17)27(33)34-2)29-25(31-26)20-10-12-22-19(15-20)4-3-13-28-22;1-14-7-9-18(20(32)11-14)23-30-21(16-5-3-2-4-6-16)29-22(31-23)17-10-8-15(13-28)12-19(17)24(25,26)27;1-13-8-9-15(18(30)12-13)23-26-22(14-6-4-3-5-7-14)27-24(28-23)16-10-11-17(21(25)31)20(36(2,34)35)19(16)29(32)33;1-12-7-8-15(18(32)9-12)22-30-20(13-5-3-2-4-6-13)29-21(31-22)14-10-16(24)19(17(25)11-14)23(26,27)28/h3-15,32H,1-2H3;2-12,32H,1H3;3-12,30H,1-2H3,(H2,25,31);2-11,32H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1862.68 g/mol, XLogP of 21.51, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160818860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).