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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>26</sub>H<sub>35</sub>N<sub>3</sub>O<sub>2</sub>

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Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₆H₃₅N₃O₂
Molecular Weight	421.58 g/mol
Exact Mass	421.2729 Da
InChI	InChI=1S/C26H35N3O2/c1-7-17-15(5)25(13-30)28-21(17)11-23-19(9-3)20(10-4)24(27-23)12-22-18(8-2)16(6)26(14-31)29-22/h13-14,27-29H,7-12H2,1-6H3
InChIKey	RONOMZLUTLYJTD-UHFFFAOYSA-N
SMILES	CCC1=C(CC2=C(CC)C(=C(CC3=C(CC)C(=C(C=O)N3)C)N2)CC)NC(=C1C)C=O
Number of Atoms	66
Number of H-Bond Acceptors	5
Number of H-Bond Donors	3
Atoms in the Largest π-System	7
XLogP	4.3

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