4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile

C22H14N4O3 — CID 162501099

IUPAC4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C22H14N4O3/c23-15-16-11-13-19(14-12-16)29-22-25-20(27-17-7-3-1-4-8-17)24-21(26-22)28-18-9-5-2-6-10-18/h1-14H
InChIKeyIWELAQCBFHBWJL-UHFFFAOYSA-N
MW382.38 g/mol
LogP5.12
Rot. Bonds6

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

4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile (PubChem CID 162501099) has the molecular formula C22H14N4O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile.

Molecular Properties

Compound Name4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
PubChem CID162501099
Molecular FormulaC22H14N4O3
Molecular Weight382.38 g/mol
Exact Mass382.11
IUPAC Name4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C22H14N4O3/c23-15-16-11-13-19(14-12-16)29-22-25-20(27-17-7-3-1-4-8-17)24-21(26-22)28-18-9-5-2-6-10-18/h1-14H
InChIKeyIWELAQCBFHBWJL-UHFFFAOYSA-N
XLogP5.12
TPSA90.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile 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-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 58974961
4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile
CID 10717549
4-[4-[[4-[4-(4-cyanophenyl)anilino]-6-phenoxy-1,3,5-triazin-2-yl]amino]phenyl]benzonitrile
CID 146533029
3-[[4-(4-cyanophenoxy)-6-phenoxy-1,3,5-triazin-2-yl]amino]benzoic acid
CID 71538731
4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80869270
4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 62868776
2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
CID 107545693
4-(4-benzylphenoxy)benzonitrile
CID 134587761
2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine
CID 145326243
5-phenoxybenzene-1,3-dicarbonitrile
CID 76539682
(4-cyanophenyl) phenyl sulfite
CID 71336896
4-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906255

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile?
The IUPAC name of 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile (CID 162501099) is 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile.
What is the SMILES notation for 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile?
The canonical SMILES for 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile is N#Cc1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile?
The InChIKey is IWELAQCBFHBWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O3/c23-15-16-11-13-19(14-12-16)29-22-25-20(27-17-7-3-1-4-8-17)24-21(26-22)28-18-9-5-2-6-10-18/h1-14H.
What are the key properties of 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile?
4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile has a molecular weight of 382.38 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile is sourced from PubChem (CID 162501099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).