2,4,6-Tri(4-pyridyl)-1,3,5-triazine

Catalog Number	ACM42333788-4
CAS	42333-78-8
Structure
Synonyms	1,3,5-Tris(4-pyridyl)-2,4,6-triazine; 2,4,6-Tri(pyridin-4-yl)-1,3,5-triazine
IUPAC Name	2,4,6-tripyridin-4-yl-1,3,5-triazine
Molecular Weight	312.33
Molecular Formula	C18H12N6
Canonical SMILES	C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4
InChI	CBMYFVSIIYILRH-UHFFFAOYSA-N
InChI Key	InChI=1S/C18H12N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H
Boiling Point	642.7 °C at 760 mmHg
Melting Point	372-374 °C
Purity	95%
Appearance	Off-white powder
Complexity	305
Covalently-Bonded Unit Count	1
Exact Mass	312.11234441
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Monoisotopic Mass	312.11234441
Rotatable Bond Count	3
Topological Polar Surface Area	77.3 Ų