methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate

C36H33N3O11 — CID 139071442

About methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate

methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate (PubChem CID 139071442) has the molecular formula C36H33N3O11 and a molecular weight of 683.67 g/mol. Its IUPAC name is methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate.

Molecular Properties

• Compound Name: methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate
• PubChem CID: 139071442
• Molecular Formula: C36H33N3O11
• Molecular Weight: 683.67 g/mol
• Exact Mass: 683.21
• IUPAC Name: methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate
• SMILES: COC(=O)c1cc(OC)c(OCc2ccccc2)c(Oc2nc(OC)nc(Oc3cc(C(=O)OC)cc(OC)c3OCc3ccccc3)n2)c1
• InChI: InChI=1S/C36H33N3O11/c1-42-26-16-24(32(40)44-3)18-28(30(26)47-20-22-12-8-6-9-13-22)49-35-37-34(46-5)38-36(39-35)50-29-19-25(33(41)45-4)17-27(43-2)31(29)48-21-23-14-10-7-11-15-23/h6-19H,20-21H2,1-5H3
• InChIKey: JMEBZTXGRKNRFF-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 155.88 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	683.67
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate?

The IUPAC name of methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate (CID 139071442) is methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate.

What is the SMILES notation for methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate?

The canonical SMILES for methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate is COC(=O)c1cc(OC)c(OCc2ccccc2)c(Oc2nc(OC)nc(Oc3cc(C(=O)OC)cc(OC)c3OCc3ccccc3)n2)c1.

What is the InChIKey of methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate?

The InChIKey is JMEBZTXGRKNRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N3O11/c1-42-26-16-24(32(40)44-3)18-28(30(26)47-20-22-12-8-6-9-13-22)49-35-37-34(46-5)38-36(39-35)50-29-19-25(33(41)45-4)17-27(43-2)31(29)48-21-23-14-10-7-11-15-23/h6-19H,20-21H2,1-5H3.

What are the key properties of methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate?

methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate has a molecular weight of 683.67 g/mol, XLogP of 6.21, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-methoxy-5-[[4-methoxy-6-(3-methoxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-1,3,5-triazin-2-yl]oxy]-4-phenylmethoxybenzoate is sourced from PubChem (CID 139071442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).