bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate

C125H97N15O28 — CID 160671880

About bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate

bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate (PubChem CID 160671880) has the molecular formula C125H97N15O28 and a molecular weight of 2257.23 g/mol. Its IUPAC name is bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate.

Molecular Properties

• Compound Name: bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate
• PubChem CID: 160671880
• Molecular Formula: C125H97N15O28
• Molecular Weight: 2257.23 g/mol
• Exact Mass: 2255.66
• IUPAC Name: bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate
• SMILES: COC(=O)c1ccc(-c2nc(-c3ccccc3O)nc(-c3c(C)cc(C(=O)OC)cc3O)n2)cc1.COC(=O)c1ccc(-c2nc(-c3ccccc3O)nc(-c3c(C)cccc3O)n2)cc1.COC(=O)c1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C)cc3O)n2)cc1.COC(=O)c1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C)cc3O)n2)cc1.COC(=O)c1ccc(-c2nc(-c3ccccc3O)nc(-c3cccc(C(=O)OC)c3O)n2)cc1.O=C=O.O=C=O
• InChI: InChI=1S/C26H21N3O6.C25H19N3O6.3C24H19N3O4.2CO2/c1-14-12-17(26(33)35-3)13-20(31)21(14)24-28-22(15-8-10-16(11-9-15)25(32)34-2)27-23(29-24)18-6-4-5-7-19(18)30;1-33-24(31)15-12-10-14(11-13-15)21-26-22(16-6-3-4-9-19(16)29)28-23(27-21)17-7-5-8-18(20(17)30)25(32)34-2;1-14-6-5-9-19(29)20(14)23-26-21(15-10-12-16(13-11-15)24(30)31-2)25-22(27-23)17-7-3-4-8-18(17)28;2*1-14-7-12-18(20(29)13-14)23-26-21(15-8-10-16(11-9-15)24(30)31-2)25-22(27-23)17-5-3-4-6-19(17)28;2*2-1-3/h4-13,30-31H,1-3H3;3-13,29-30H,1-2H3;3*3-13,28-29H,1-2H3
• InChIKey: RNAKQLUTWHCQCI-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 648.03 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 22
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2257.23
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate?

The IUPAC name of bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate (CID 160671880) is bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate.

What is the SMILES notation for bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate?

The canonical SMILES for bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate is COC(=O)c1ccc(-c2nc(-c3ccccc3O)nc(-c3c(C)cc(C(=O)OC)cc3O)n2)cc1.COC(=O)c1ccc(-c2nc(-c3ccccc3O)nc(-c3c(C)cccc3O)n2)cc1.COC(=O)c1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C)cc3O)n2)cc1.COC(=O)c1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(C)cc3O)n2)cc1.COC(=O)c1ccc(-c2nc(-c3ccccc3O)nc(-c3cccc(C(=O)OC)c3O)n2)cc1.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate?

The InChIKey is RNAKQLUTWHCQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O6.C25H19N3O6.3C24H19N3O4.2CO2/c1-14-12-17(26(33)35-3)13-20(31)21(14)24-28-22(15-8-10-16(11-9-15)25(32)34-2)27-23(29-24)18-6-4-5-7-19(18)30;1-33-24(31)15-12-10-14(11-13-15)21-26-22(16-6-3-4-9-19(16)29)28-23(27-21)17-7-5-8-18(20(17)30)25(32)34-2;1-14-6-5-9-19(29)20(14)23-26-21(15-10-12-16(13-11-15)24(30)31-2)25-22(27-23)17-7-3-4-8-18(17)28;2*1-14-7-12-18(20(29)13-14)23-26-21(15-8-10-16(11-9-15)24(30)31-2)25-22(27-23)17-5-3-4-6-19(17)28;2*2-1-3/h4-13,30-31H,1-3H3;3-13,29-30H,1-2H3;3*3-13,28-29H,1-2H3;;.

What are the key properties of bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate?

bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate has a molecular weight of 2257.23 g/mol, XLogP of 19.99, 22 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);methyl 2-hydroxy-3-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate;methyl 3-hydroxy-4-[4-(2-hydroxyphenyl)-6-(4-methoxycarbonylphenyl)-1,3,5-triazin-2-yl]-5-methylbenzoate;bis(methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate);methyl 4-[4-(2-hydroxy-6-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzoate is sourced from PubChem (CID 160671880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).