N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol

C49H37F6N7O5 — CID 136593542

About N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol

N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol (PubChem CID 136593542) has the molecular formula C49H37F6N7O5 and a molecular weight of 917.87 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

• Compound Name: N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
• PubChem CID: 136593542
• Molecular Formula: C49H37F6N7O5
• Molecular Weight: 917.87 g/mol
• Exact Mass: 917.28
• IUPAC Name: N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
• SMILES: COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)c(C)c3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)cc3NC(C)=O)n2)c(O)c1
• InChI: InChI=1S/C25H19F3N4O3.C24H18F3N3O2/c1-14(33)29-20-12-16(25(26,27)28)8-10-18(20)23-30-22(15-6-4-3-5-7-15)31-24(32-23)19-11-9-17(35-2)13-21(19)34;1-14-12-16(8-11-19(14)24(25,26)27)22-28-21(15-6-4-3-5-7-15)29-23(30-22)18-10-9-17(32-2)13-20(18)31/h3-13,34H,1-2H3,(H,29,33);3-13,31H,1-2H3
• InChIKey: SXHNPQPCPFOTAY-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 165.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	917.87
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol?

The IUPAC name of N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol (CID 136593542) is N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol.

What is the SMILES notation for N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol?

The canonical SMILES for N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol is COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)c(C)c3)n2)c(O)c1.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)cc3NC(C)=O)n2)c(O)c1.

What is the InChIKey of N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol?

The InChIKey is SXHNPQPCPFOTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O3.C24H18F3N3O2/c1-14(33)29-20-12-16(25(26,27)28)8-10-18(20)23-30-22(15-6-4-3-5-7-15)31-24(32-23)19-11-9-17(35-2)13-21(19)34;1-14-12-16(8-11-19(14)24(25,26)27)22-28-21(15-6-4-3-5-7-15)29-23(30-22)18-10-9-17(32-2)13-20(18)31/h3-13,34H,1-2H3,(H,29,33);3-13,31H,1-2H3.

What are the key properties of N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol?

N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol has a molecular weight of 917.87 g/mol, XLogP of 11.48, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(trifluoromethyl)phenyl]acetamide;5-methoxy-2-[4-[3-methyl-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 136593542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).