[3,5-Bis-(4-cyano-phenoxy)-phenyl]-amine

HCID 66818846
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(Oc2cc(N)cc(Oc3ccc(C#N)cc3)c2)cc1
InChIKey
XUJWYIINCLSGNG-UHFFFAOYSA-N
Molecular formula
C20H13N3O2
Average molar mass
327.3 g/mol
Monoisotopic mass
327.10077667

Names & identifiers

Preferred name
[3,5-Bis-(4-cyano-phenoxy)-phenyl]-amine
IUPAC
4-[3-amino-5-(4-cyanophenoxy)phenoxy]benzonitrile

Names & synonyms

SCHEMBL852039XUJWYIINCLSGNG-UHFFFAOYSA-N[3,5-Bis-(4-cyano-phenoxy)-phenyl]-amine

Database identifiers

PubChem CID
66818846

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
92.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
25

Related reactions

5 records
New reaction record

Compound notes

Loading…