2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]benzoate

C102H70Cl2F6N14O12 — CID 159856861

About 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-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-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]benzoate (PubChem CID 159856861) 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-phenyl-1,3,5-triazin-2-yl]-5-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]benzoate.

Molecular Properties

• Compound Name: 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]benzoate
• PubChem CID: 159856861
• Molecular Formula: C102H70Cl2F6N14O12
• Molecular Weight: 1868.66 g/mol
• Exact Mass: 1866.46
• IUPAC Name: 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]benzoate
• SMILES: COC(=O)c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(OC)cc3O)n2)cc1.COC(=O)c1ccc(-c2nc(-c3ccc4ncccc4c3)nc(-c3ccc(OC)cc3O)n2)cc1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(Cl)c(C(F)(F)F)c(Cl)c3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C#N)cc3C(F)(F)F)n2)c(O)c1
• InChI: InChI=1S/C28H21N3O4.C27H20N4O4.C24H15F3N4O2.C23H14Cl2F3N3O2/c1-34-22-13-14-23(24(32)16-22)27-30-25(18-8-10-19(11-9-18)28(33)35-2)29-26(31-27)21-12-7-17-5-3-4-6-20(17)15-21;1-34-20-10-11-21(23(32)15-20)26-30-24(16-5-7-17(8-6-16)27(33)35-2)29-25(31-26)19-9-12-22-18(14-19)4-3-13-28-22;1-33-16-8-10-18(20(32)12-16)23-30-21(15-5-3-2-4-6-15)29-22(31-23)17-9-7-14(13-28)11-19(17)24(25,26)27;1-33-14-7-8-15(18(32)11-14)22-30-20(12-5-3-2-4-6-12)29-21(31-22)13-9-16(24)19(17(25)10-13)23(26,27)28/h3-16,32H,1-2H3;3-15,32H,1-2H3;2-12,32H,1H3;2-11,32H,1H3
• InChIKey: NQQGGBGOUBQDGM-UHFFFAOYSA-N
• XLogP: 22.84
• TPSA: 361.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1868.66
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

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-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-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-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]benzoate (CID 159856861) is 2-[4-[3,5-dichloro-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-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-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-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-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]benzoate is COC(=O)c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(OC)cc3O)n2)cc1.COC(=O)c1ccc(-c2nc(-c3ccc4ncccc4c3)nc(-c3ccc(OC)cc3O)n2)cc1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(Cl)c(C(F)(F)F)c(Cl)c3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)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-phenyl-1,3,5-triazin-2-yl]-5-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]benzoate?

The InChIKey is NQQGGBGOUBQDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O4.C27H20N4O4.C24H15F3N4O2.C23H14Cl2F3N3O2/c1-34-22-13-14-23(24(32)16-22)27-30-25(18-8-10-19(11-9-18)28(33)35-2)29-26(31-27)21-12-7-17-5-3-4-6-20(17)15-21;1-34-20-10-11-21(23(32)15-20)26-30-24(16-5-7-17(8-6-16)27(33)35-2)29-25(31-26)19-9-12-22-18(14-19)4-3-13-28-22;1-33-16-8-10-18(20(32)12-16)23-30-21(15-5-3-2-4-6-15)29-22(31-23)17-9-7-14(13-28)11-19(17)24(25,26)27;1-33-14-7-8-15(18(32)11-14)22-30-20(12-5-3-2-4-6-12)29-21(31-22)13-9-16(24)19(17(25)10-13)23(26,27)28/h3-16,32H,1-2H3;3-15,32H,1-2H3;2-12,32H,1H3;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-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-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-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]benzoate has a molecular weight of 1868.66 g/mol, XLogP of 22.84, 18 rotatable bonds, 4 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-phenyl-1,3,5-triazin-2-yl]-5-methoxyphenol;4-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methoxyphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]benzoate is sourced from PubChem (CID 159856861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).