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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>17</sub>H<sub>22</sub>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₇H₂₂N₂O₂
Molecular Weight	286.37 g/mol
Exact Mass	286.1681 Da
InChI	InChI=1S/C17H22N2O2/c1-5-12-10(3)16(8-20)18-14(12)7-15-13(6-2)11(4)17(9-21)19-15/h8-9,18-19H,5-7H2,1-4H3
InChIKey	OGOATYJXXAAJJJ-UHFFFAOYSA-N
SMILES	CCC1=C(CC2=C(CC)C(=C(C=O)N2)C)NC(=C1C)C=O
Number of Atoms	43
Number of H-Bond Acceptors	4
Number of H-Bond Donors	2
Atoms in the Largest π-System	7
XLogP	2.5

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