4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol

C23H19N3O4 — CID 21325609

IUPAC4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol
SMILESCOc1nc(OC)nc(Oc2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)n1
InChIInChI=1S/C23H19N3O4/c1-28-21-24-22(29-2)26-23(25-21)30-17-13-18(15-9-5-3-6-10-15)20(27)19(14-17)16-11-7-4-8-12-16/h3-14,27H,1-2H3
InChIKeyPIQQDJBXDYRKAJ-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.72
Rot. Bonds6

About 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol

4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol (PubChem CID 21325609) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol.

Molecular Properties

Compound Name4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol
PubChem CID21325609
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol
SMILESCOc1nc(OC)nc(Oc2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)n1
InChIInChI=1S/C23H19N3O4/c1-28-21-24-22(29-2)26-23(25-21)30-17-13-18(15-9-5-3-6-10-15)20(27)19(14-17)16-11-7-4-8-12-16/h3-14,27H,1-2H3
InChIKeyPIQQDJBXDYRKAJ-UHFFFAOYSA-N
XLogP4.72
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol?
The IUPAC name of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol (CID 21325609) is 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol.
What is the SMILES notation for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol?
The canonical SMILES for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol is COc1nc(OC)nc(Oc2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)n1.
What is the InChIKey of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol?
The InChIKey is PIQQDJBXDYRKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-28-21-24-22(29-2)26-23(25-21)30-17-13-18(15-9-5-3-6-10-15)20(27)19(14-17)16-11-7-4-8-12-16/h3-14,27H,1-2H3.
What are the key properties of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol?
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol has a molecular weight of 401.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol is sourced from PubChem (CID 21325609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).