2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine

C23H17N5O2 — CID 24752664

IUPAC2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine
SMILESCOc1nc(C#Cc2cc(-c3ccccc3)nc(-c3ccccn3)c2)nc(OC)n1
InChIInChI=1S/C23H17N5O2/c1-29-22-26-21(27-23(28-22)30-2)12-11-16-14-19(17-8-4-3-5-9-17)25-20(15-16)18-10-6-7-13-24-18/h3-10,13-15H,1-2H3
InChIKeyWPHRQCLUAJSBEK-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.41
Rot. Bonds4

About 2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine

2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine (PubChem CID 24752664) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine
PubChem CID24752664
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine
SMILESCOc1nc(C#Cc2cc(-c3ccccc3)nc(-c3ccccn3)c2)nc(OC)n1
InChIInChI=1S/C23H17N5O2/c1-29-22-26-21(27-23(28-22)30-2)12-11-16-14-19(17-8-4-3-5-9-17)25-20(15-16)18-10-6-7-13-24-18/h3-10,13-15H,1-2H3
InChIKeyWPHRQCLUAJSBEK-UHFFFAOYSA-N
XLogP3.41
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine with MolForge

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Related Compounds

4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine
CID 24750510
4-[2-[4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]-2-methoxyphenyl]ethynyl]-2,6-dipyridin-2-ylpyridine
CID 11434253
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
4-[3-[2-[4-[2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102407209
4-[3,5-bis[2-(1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102498301
2-phenyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine
CID 135069582
4,6-diphenyl-2-pyridin-2-ylpyrimidine;ethane
CID 145283767
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-ethynyl-2,6-dipyridin-2-ylpyridine
CID 10611160
4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 86064133
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine (CID 24752664) is 2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine is COc1nc(C#Cc2cc(-c3ccccc3)nc(-c3ccccn3)c2)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine?
The InChIKey is WPHRQCLUAJSBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c1-29-22-26-21(27-23(28-22)30-2)12-11-16-14-19(17-8-4-3-5-9-17)25-20(15-16)18-10-6-7-13-24-18/h3-10,13-15H,1-2H3.
What are the key properties of 2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine?
2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine has a molecular weight of 395.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine is sourced from PubChem (CID 24752664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).