methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate

C122H101N17O23S — CID 159846562

About methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate

methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate (PubChem CID 159846562) has the molecular formula C122H101N17O23S and a molecular weight of 2205.31 g/mol. Its IUPAC name is methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate.

Molecular Properties

• Compound Name: methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate
• PubChem CID: 159846562
• Molecular Formula: C122H101N17O23S
• Molecular Weight: 2205.31 g/mol
• Exact Mass: 2203.70
• IUPAC Name: methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate
• SMILES: COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3cc(OC)ccc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C(C)(C)C)cc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C)cc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc(N)cc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc(NS(C)(=O)=O)cc3O)n2)c1
• InChI: InChI=1S/C27H25N3O4.C24H20N4O6S.C24H19N3O5.C24H19N3O4.C23H18N4O4/c1-27(2,3)18-12-13-20(22(32)15-18)25-29-23(16-8-7-9-17(14-16)26(33)34-4)28-24(30-25)19-10-5-6-11-21(19)31;1-34-24(31)15-7-5-6-14(12-15)21-25-22(17-8-3-4-9-19(17)29)27-23(26-21)18-11-10-16(13-20(18)30)28-35(2,32)33;1-31-16-10-11-20(29)18(13-16)23-26-21(14-6-5-7-15(12-14)24(30)32-2)25-22(27-23)17-8-3-4-9-19(17)28;1-14-10-11-18(20(29)12-14)23-26-21(15-6-5-7-16(13-15)24(30)31-2)25-22(27-23)17-8-3-4-9-19(17)28;1-31-23(30)14-6-4-5-13(11-14)20-25-21(16-7-2-3-8-18(16)28)27-22(26-20)17-10-9-15(24)12-19(17)29/h5-15,31-32H,1-4H3;3-13,28-30H,1-2H3;3-13,28-29H,1-2H3;3-13,28-29H,1-2H3;2-12,28-29H,24H2,1H3
• InChIKey: NPJPKGDOVBOAEJ-UHFFFAOYSA-N
• XLogP: 20.92
• TPSA: 608.57 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 23
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2205.31
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate?

The IUPAC name of methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate (CID 159846562) is methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate.

What is the SMILES notation for methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate?

The canonical SMILES for methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate is COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3cc(OC)ccc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C(C)(C)C)cc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C)cc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc(N)cc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc(NS(C)(=O)=O)cc3O)n2)c1.

What is the InChIKey of methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate?

The InChIKey is NPJPKGDOVBOAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4.C24H20N4O6S.C24H19N3O5.C24H19N3O4.C23H18N4O4/c1-27(2,3)18-12-13-20(22(32)15-18)25-29-23(16-8-7-9-17(14-16)26(33)34-4)28-24(30-25)19-10-5-6-11-21(19)31;1-34-24(31)15-7-5-6-14(12-15)21-25-22(17-8-3-4-9-19(17)29)27-23(26-21)18-11-10-16(13-20(18)30)28-35(2,32)33;1-31-16-10-11-20(29)18(13-16)23-26-21(14-6-5-7-15(12-14)24(30)32-2)25-22(27-23)17-8-3-4-9-19(17)28;1-14-10-11-18(20(29)12-14)23-26-21(15-6-5-7-16(13-15)24(30)31-2)25-22(27-23)17-8-3-4-9-19(17)28;1-31-23(30)14-6-4-5-13(11-14)20-25-21(16-7-2-3-8-18(16)28)27-22(26-20)17-10-9-15(24)12-19(17)29/h5-15,31-32H,1-4H3;3-13,28-30H,1-2H3;3-13,28-29H,1-2H3;3-13,28-29H,1-2H3;2-12,28-29H,24H2,1H3.

What are the key properties of methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate?

methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate has a molecular weight of 2205.31 g/mol, XLogP of 20.92, 23 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[4-(4-amino-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(4-tert-butyl-2-hydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-[2-hydroxy-4-(methanesulfonamido)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-5-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate is sourced from PubChem (CID 159846562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).