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

C102H70Cl2F6N14O12 — CID 157158505

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]-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

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 (PubChem CID 157158505) has the molecular formula C102H70Cl2F6N14O12 and a molecular weight of 1868.66 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]-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.

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]-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
• PubChem CID: 157158505
• Molecular Formula: C102H70Cl2F6N14O12
• Molecular Weight: 1868.66 g/mol
• Exact Mass: 1866.46
• 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]-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
• SMILES: COC(=O)c1ccc(-c2nc(-c3ccc(C)cc3O)nc(-c3ccc4ccccc4c3O)n2)cc1.COC(=O)c1ccc(-c2nc(-c3ccc(C)cc3O)nc(-c3ccc4ncccc4c3O)n2)cc1.Cc1ccc(-c2nc(-c3cc(Cl)c(C(F)(F)F)c(Cl)c3)nc(-c3ccccc3O)n2)c(O)c1.Cc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C#N)cc3C(F)(F)F)n2)c(O)c1
• InChI: InChI=1S/C28H21N3O4.C27H20N4O4.C24H15F3N4O2.C23H14Cl2F3N3O2/c1-16-7-13-21(23(32)15-16)26-29-25(18-8-10-19(11-9-18)28(34)35-2)30-27(31-26)22-14-12-17-5-3-4-6-20(17)24(22)33;1-15-5-10-19(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;1-11-6-7-14(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/h3-15,32-33H,1-2H3;3-14,32-33H,1-2H3;2-11,32-33H,1H3;2-10,32-33H,1H3
• InChIKey: AMCCDQYUCYTTKC-UHFFFAOYSA-N
• XLogP: 22.86
• TPSA: 405.80 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1868.66
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

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]-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?

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]-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) 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]-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.

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]-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?

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]-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 is COC(=O)c1ccc(-c2nc(-c3ccc(C)cc3O)nc(-c3ccc4ccccc4c3O)n2)cc1.COC(=O)c1ccc(-c2nc(-c3ccc(C)cc3O)nc(-c3ccc4ncccc4c3O)n2)cc1.Cc1ccc(-c2nc(-c3cc(Cl)c(C(F)(F)F)c(Cl)c3)nc(-c3ccccc3O)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-[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?

The InChIKey is AMCCDQYUCYTTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O4.C27H20N4O4.C24H15F3N4O2.C23H14Cl2F3N3O2/c1-16-7-13-21(23(32)15-16)26-29-25(18-8-10-19(11-9-18)28(34)35-2)30-27(31-26)22-14-12-17-5-3-4-6-20(17)24(22)33;1-15-5-10-19(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;1-11-6-7-14(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/h3-15,32-33H,1-2H3;3-14,32-33H,1-2H3;2-11,32-33H,1H3;2-10,32-33H,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]-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?

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 has a molecular weight of 1868.66 g/mol, XLogP of 22.86, 14 rotatable bonds, 8 hydrogen bond donors, and 26 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]-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 is sourced from PubChem (CID 157158505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).