1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[3,5-bis[(6-methylpyridin-2-yl)oxy]phenoxy]-6-methylpyridine

2.1.2 InChI

InChI=1S/C24H21N3O3/c1-16-7-4-10-22(25-16)28-19-13-20(29-23-11-5-8-17(2)26-23)15-21(14-19)30-24-12-6-9-18(3)27-24/h4-15H,1-3H3

2.1.3 InChI Key

OPUQKVNCXCWRLR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC(=CC=C1)OC2=CC(=CC(=C2)OC3=CC=CC(=N3)C)OC4=CC=CC(=N4)C

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 1,3,5-tris (6-methylpyridin-2-yloxy) Benzene

2. Nx-13

2.2.2 Depositor-Supplied Synonyms

1. Nx-13

2. 2389235-01-0

3. Amelenodor [inn]

4. Nx-13 Free Base

5. Unii-dvh35h3hdb

6. Dvh35h3hdb

7. Schembl22061849

8. 1,3,5-tris((6-methylpyridin-2-yl)oxy)benzene

9. 2,2',2''-(1,3,5-benzenetriyltris(oxy))tris(6-methylpyridine

10. 2,2',2''-(benzene-1,3,5-triyltris(oxy))tris(6-methylpyridine)

11. Pyridine, 2,2',2''-(1,3,5-benzenetriyltris(oxy))tris(6-methyl-

2.3 Create Date

2020-06-27

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₁N₃O₃
Molecular Weight	399.4 g/mol
XLogP3	5.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	399.15829154 g/mol
Monoisotopic Mass	399.15829154 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	439
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

NX-13