3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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

C134H95N17O21 — CID 159716672

About 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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

3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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 159716672) has the molecular formula C134H95N17O21 and a molecular weight of 2279.33 g/mol. Its IUPAC name is 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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: 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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: 159716672
• Molecular Formula: C134H95N17O21
• Molecular Weight: 2279.33 g/mol
• Exact Mass: 2277.69
• IUPAC Name: 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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: CNC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccccc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3cc4ccccc4cc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc4c(c3O)C(=O)C3C=CC=CC3C4=O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc4ccccc4c3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc4ncccc4c3O)n2)c1
• InChI: InChI=1S/C31H21N3O6.2C27H19N3O4.C26H18N4O4.C23H18N4O3/c1-40-31(39)17-8-6-7-16(15-17)28-32-29(20-11-4-5-12-23(20)35)34-30(33-28)22-14-13-21-24(27(22)38)26(37)19-10-3-2-9-18(19)25(21)36;1-34-27(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;1-24-23(30)15-8-6-7-14(13-15)20-25-21(16-9-2-4-11-18(16)28)27-22(26-20)17-10-3-5-12-19(17)29/h2-15,18-19,35,38H,1H3;2*2-15,31-32H,1H3;2-14,31-32H,1H3;2-13,28-29H,1H3,(H,24,30)
• InChIKey: MZNFNHDMKNZNTP-UHFFFAOYSA-N
• XLogP: 23.52
• TPSA: 576.98 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2279.33
LogP ≤ 5	23.52
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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 159716672) is 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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 CNC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccccc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3cc4ccccc4cc3O)n2)c1.COC(=O)c1cccc(-c2nc(-c3ccccc3O)nc(-c3ccc4c(c3O)C(=O)C3C=CC=CC3C4=O)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 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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 MZNFNHDMKNZNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O6.2C27H19N3O4.C26H18N4O4.C23H18N4O3/c1-40-31(39)17-8-6-7-16(15-17)28-32-29(20-11-4-5-12-23(20)35)34-30(33-28)22-14-13-21-24(27(22)38)26(37)19-10-3-2-9-18(19)25(21)36;1-34-27(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;1-24-23(30)15-8-6-7-14(13-15)20-25-21(16-9-2-4-11-18(16)28)27-22(26-20)17-10-3-5-12-19(17)29/h2-15,18-19,35,38H,1H3;2*2-15,31-32H,1H3;2-14,31-32H,1H3;2-13,28-29H,1H3,(H,24,30).

What are the key properties of 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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?

3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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 2279.33 g/mol, XLogP of 23.52, 20 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,6-bis(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-methylbenzamide;methyl 3-[4-(1-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl)-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 159716672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).