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Chemistry

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Also known as: Nx-13, 2389235-01-0, Amelenodor [inn], Nx-13 free base, Unii-dvh35h3hdb, Dvh35h3hdb
Molecular Formula
C24H21N3O3
Molecular Weight
399.4  g/mol
InChI Key
OPUQKVNCXCWRLR-UHFFFAOYSA-N

NX-13
1 2D Structure

NX-13

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 Weight 399.4 g/mol
Molecular Formula C24H21N3O3
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass399.15829154 g/mol
Monoisotopic Mass399.15829154 g/mol
Topological Polar Surface Area66.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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