2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol

C23H19N3O4 — CID 137230804

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol
SMILESOCCOc1cc(O)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C23H19N3O4/c27-11-12-30-17-13-18(28)20(19(29)14-17)23-25-21(15-7-3-1-4-8-15)24-22(26-23)16-9-5-2-6-10-16/h1-10,13-14,27-29H,11-12H2
InChIKeyBHWFRZNGYXRGML-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.65
Rot. Bonds6

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol (PubChem CID 137230804) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol
PubChem CID137230804
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol
SMILESOCCOc1cc(O)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C23H19N3O4/c27-11-12-30-17-13-18(28)20(19(29)14-17)23-25-21(15-7-3-1-4-8-15)24-22(26-23)16-9-5-2-6-10-16/h1-10,13-14,27-29H,11-12H2
InChIKeyBHWFRZNGYXRGML-UHFFFAOYSA-N
XLogP3.65
TPSA108.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dihydroxyphenoxy]ethyl benzoate
CID 137201033
4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 160593357
5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136627778
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenol;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 175139599
2-quinolin-3-yloxyethanol
CID 102847036
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 135621952
1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol
CID 156562288
5-butoxy-2-phenylphenol
CID 70451587
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[6-(4-hydroxybut-3-yn-2-yloxy)hexoxy]phenol
CID 137304972
bis[2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] decanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] hexanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] octanedioate
CID 158563004

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol (CID 137230804) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol is OCCOc1cc(O)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol?
The InChIKey is BHWFRZNGYXRGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-11-12-30-17-13-18(28)20(19(29)14-17)23-25-21(15-7-3-1-4-8-15)24-22(26-23)16-9-5-2-6-10-16/h1-10,13-14,27-29H,11-12H2.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol has a molecular weight of 401.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol is sourced from PubChem (CID 137230804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).