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Beyond symmetric self-assembly and effective molarity: unlocking functional enzyme mimics with robust organic cages

Keith G. Andrews

Beilstein J. Org. Chem. 2025, 21, 421–443. https://doi.org/10.3762/bjoc.21.30

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Chemical structure C<sub>22</sub>H<sub>22</sub>N<sub>2</sub>

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Extracted from

Figure 8

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₂H₂₂N₂
Molecular Weight	314.42 g/mol
Exact Mass	314.1783 Da
InChI	InChI=1S/C22H22N2/c1-2-6-17(7-3-1)20-8-4-5-9-21(20)18-10-12-19(13-11-18)22-16-23-14-15-24-22/h1-13,22-24H,14-16H2/t22-/m1/s1
InChIKey	XQKRWMFAGLZABZ-JOCHJYFZSA-N
SMILES	C1=CC=C(C=C1)C2=C(C=CC=C2)C3=CC=C(C=C3)[C@H]4CNCCN4
Number of Atoms	46
Number of H-Bond Acceptors	2
Number of H-Bond Donors	2
Atoms in the Largest π-System	18
XLogP	4.1

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