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Tying a knot between crown ethers and porphyrins

Maksym Matviyishyn and Bartosz Szyszko

Beilstein J. Org. Chem. 2023, 19, 1630–1650. https://doi.org/10.3762/bjoc.19.120

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Chemical structure C<sub>23</sub>H<sub>27</sub>N<sub>3</sub>O<sub>2</sub>

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Extracted from

Scheme 10

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₃H₂₇N₃O₂
Molecular Weight	377.48 g/mol
Exact Mass	377.2103 Da
InChI	InChI=1S/C23H27N3O2/c1-5-14-16(7-3)22(25-20(14)12-27)18-10-9-11-19(24-18)23-17(8-4)15(6-2)21(13-28)26-23/h9-13,25-26H,5-8H2,1-4H3
InChIKey	VZGDXCDFZRLDJC-UHFFFAOYSA-N
SMILES	CCC1=C(C=O)NC(=C1CC)C2=NC(=CC=C2)C3=C(CC)C(=C(C=O)N3)CC
Number of Atoms	55
Number of H-Bond Acceptors	5
Number of H-Bond Donors	2
Atoms in the Largest π-System	20
XLogP	3.7

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