methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate

C127H92N16O23S — CID 161197082

About methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate

methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate (PubChem CID 161197082) has the molecular formula C127H92N16O23S and a molecular weight of 2242.29 g/mol. Its IUPAC name is methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate.

Molecular Properties

• Compound Name: methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate
• PubChem CID: 161197082
• Molecular Formula: C127H92N16O23S
• Molecular Weight: 2242.29 g/mol
• Exact Mass: 2240.62
• IUPAC Name: methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate
• SMILES: COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3c(O)cccc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3cc4ccccc4cc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc(S(C)(=O)=O)cc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc4ccccc4c3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc4ncccc4c3O)n2)c1
• InChI: InChI=1S/2C27H19N3O4.C26H18N4O4.C24H19N3O6S.C23H17N3O5/c1-34-27(33)18-9-6-8-17(15-18)24-28-25(20-11-4-5-12-22(20)31)30-26(29-24)21-14-13-16-7-2-3-10-19(16)23(21)32;1-34-27(33)19-10-6-9-18(13-19)24-28-25(20-11-4-5-12-22(20)31)30-26(29-24)21-14-16-7-2-3-8-17(16)15-23(21)32;1-34-26(33)16-7-4-6-15(14-16)23-28-24(18-8-2-3-10-21(18)31)30-25(29-23)19-11-12-20-17(22(19)32)9-5-13-27-20;1-33-24(30)15-7-5-6-14(12-15)21-25-22(17-8-3-4-9-19(17)28)27-23(26-21)18-11-10-16(13-20(18)29)34(2,31)32;1-31-23(30)14-7-4-6-13(12-14)20-24-21(15-8-2-3-9-16(15)27)26-22(25-20)19-17(28)10-5-11-18(19)29/h2*2-15,31-32H,1H3;2-14,31-32H,1H3;3-13,28-29H,1-2H3;2-12,27-29H,1H3
• InChIKey: UUMIHKLFKLIESR-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 594.41 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 21
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.29
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate?

The IUPAC name of methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate (CID 161197082) is methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate.

What is the SMILES notation for methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate?

The canonical SMILES for methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate is COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3c(O)cccc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3cc4ccccc4cc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc(S(C)(=O)=O)cc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc4ccccc4c3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc4ncccc4c3O)n2)c1.

What is the InChIKey of methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate?

The InChIKey is UUMIHKLFKLIESR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H19N3O4.C26H18N4O4.C24H19N3O6S.C23H17N3O5/c1-34-27(33)18-9-6-8-17(15-18)24-28-25(20-11-4-5-12-22(20)31)30-26(29-24)21-14-13-16-7-2-3-10-19(16)23(21)32;1-34-27(33)19-10-6-9-18(13-19)24-28-25(20-11-4-5-12-22(20)31)30-26(29-24)21-14-16-7-2-3-8-17(16)15-23(21)32;1-34-26(33)16-7-4-6-15(14-16)23-28-24(18-8-2-3-10-21(18)31)30-25(29-23)19-11-12-20-17(22(19)32)9-5-13-27-20;1-33-24(30)15-7-5-6-14(12-15)21-25-22(17-8-3-4-9-19(17)28)27-23(26-21)18-11-10-16(13-20(18)29)34(2,31)32;1-31-23(30)14-7-4-6-13(12-14)20-24-21(15-8-2-3-9-16(15)27)26-22(25-20)19-17(28)10-5-11-18(19)29/h2*2-15,31-32H,1H3;2-14,31-32H,1H3;3-13,28-29H,1-2H3;2-12,27-29H,1H3.

What are the key properties of methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate?

methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate has a molecular weight of 2242.29 g/mol, XLogP of 22.32, 21 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[4-(2,6-dihydroxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxy-4-methylsulfonylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(1-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(3-hydroxynaphthalen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-[4-(2-hydroxyphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate is sourced from PubChem (CID 161197082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).