4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine

C31H23N5O6 — CID 139197421

IUPAC4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine
SMILESOc1ccc(Oc2nc(Oc3ccc(O)cc3)nc(Oc3ccc(O)cc3)n2)cc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C21H15N3O6.C10H8N2/c25-13-1-7-16(8-2-13)28-19-22-20(29-17-9-3-14(26)4-10-17)24-21(23-19)30-18-11-5-15(27)6-12-18;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-12,25-27H;1-8H
InChIKeyOVMDJOGOPFNTTM-UHFFFAOYSA-N
MW561.55 g/mol
LogP6.51
Rot. Bonds7

About 4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine

4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine (PubChem CID 139197421) has the molecular formula C31H23N5O6 and a molecular weight of 561.55 g/mol. Its IUPAC name is 4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine.

Molecular Properties

Compound Name4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine
PubChem CID139197421
Molecular FormulaC31H23N5O6
Molecular Weight561.55 g/mol
Exact Mass561.16
IUPAC Name4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine
SMILESOc1ccc(Oc2nc(Oc3ccc(O)cc3)nc(Oc3ccc(O)cc3)n2)cc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C21H15N3O6.C10H8N2/c25-13-1-7-16(8-2-13)28-19-22-20(29-17-9-3-14(26)4-10-17)24-21(23-19)30-18-11-5-15(27)6-12-18;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-12,25-27H;1-8H
InChIKeyOVMDJOGOPFNTTM-UHFFFAOYSA-N
XLogP6.51
TPSA152.83 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500561.55
LogP ≤ 56.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine
CID 102205200
Quinol:2(4,4'-bipyridine)
CID 139063025
Benzene-1,4-diol;bis(5-pyridin-4-ylpyrimidine)
CID 139196670
4-[4-[4-(3,3-Dimethylcyclopenta-1,4-dien-1-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenoxy]phenol;ethane
CID 141898513
2-[4-Phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3,5-triazin-2-yl]phenol;platinum
CID 153280231
3-[5-[2-(4-Phenoxyphenoxy)pyrimidin-4-yl]pyrimidin-2-yl]oxyphenol
CID 173285664
4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 3116179
4,6-diphenoxy-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazin-2-amine
CID 10068578
4-Pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol
CID 46967115
4-Pyridin-3-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol
CID 73897770
2-(3-Methylpyridin-1-ium-1-yl)-4,6-diphenoxy-1,3,5-triazine
CID 101686015
2-(3,5-Dimethylpyridin-1-ium-1-yl)-4,6-diphenoxy-1,3,5-triazine
CID 101686016

Frequently Asked Questions

What is the IUPAC name of 4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine?
The IUPAC name of 4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine (CID 139197421) is 4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine.
What is the SMILES notation for 4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine?
The canonical SMILES for 4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine is Oc1ccc(Oc2nc(Oc3ccc(O)cc3)nc(Oc3ccc(O)cc3)n2)cc1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine?
The InChIKey is OVMDJOGOPFNTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O6.C10H8N2/c25-13-1-7-16(8-2-13)28-19-22-20(29-17-9-3-14(26)4-10-17)24-21(23-19)30-18-11-5-15(27)6-12-18;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-12,25-27H;1-8H.
What are the key properties of 4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine?
4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine has a molecular weight of 561.55 g/mol, XLogP of 6.51, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol;4-pyridin-4-ylpyridine is sourced from PubChem (CID 139197421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).