2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol

C22H17N3O2 — CID 135492540

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C22H17N3O2/c1-27-17-12-13-18(19(26)14-17)22-24-20(15-8-4-2-5-9-15)23-21(25-22)16-10-6-3-7-11-16/h2-14,26H,1H3
InChIKeyUUINYPIVWRZHAG-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.59
Rot. Bonds4

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol (PubChem CID 135492540) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
PubChem CID135492540
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C22H17N3O2/c1-27-17-12-13-18(19(26)14-17)22-24-20(15-8-4-2-5-9-15)23-21(25-22)16-10-6-3-7-11-16/h2-14,26H,1H3
InChIKeyUUINYPIVWRZHAG-UHFFFAOYSA-N
XLogP4.59
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol (CID 135492540) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol is COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol?
The InChIKey is UUINYPIVWRZHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-27-17-12-13-18(19(26)14-17)22-24-20(15-8-4-2-5-9-15)23-21(25-22)16-10-6-3-7-11-16/h2-14,26H,1H3.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol has a molecular weight of 355.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol is sourced from PubChem (CID 135492540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).