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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>12</sub>H<sub>14</sub>N<sub>2</sub>]<sup>2+</sup>

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Extracted from

Figure 8

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	[C₁₂H₁₄N₂]²⁺
Molecular Weight	186.25 g/mol
Exact Mass	186.1157 Da
InChI	InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
InChIKey	INFDPOAKFNIJBF-UHFFFAOYSA-N
SMILES	C[N+]1=CC=C(C=C1)C2=CC=[N+](C)C=C2
Number of Atoms	28
Number of H-Bond Acceptors	0
Number of H-Bond Donors	0
Atoms in the Largest π-System	12
XLogP	1.9

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