Molecule FYI-1003073

A

Molecule Summary:

ID: FYI-1003073
Names:
InChIKey: IHPFFJUVKJIWOT-UHFFFAOYSA-N
SMILES: N#Cc3cc(c2cc(c1cc(F)c(O)c(F)c1)[nH]n2)ccc3O

Received at FYIcenter.com on: 2023-05-10

Molecule ID: FYI-1003073 Edit

Molecule Structure InChIKey: IHPFFJUVKJIWOT-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc3cc(c2cc(c1cc(F)c(O)c(F)c1)[nH]n2)ccc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003073
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5574    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9478    8.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3401    8.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1630    9.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5936   11.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4165   12.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2014   11.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6318   12.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3784   10.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248    7.7543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    6.4229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0624   13.8566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 13  1  1  0  0  0  0
 10 14  3  0  0  0  0
  1 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003073-3D
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.7955   -0.0762    1.9547 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7776   -0.1024    1.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9902   -0.0645    0.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7086    1.1342    0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8695    1.2157   -0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917    2.4757   -0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6798    3.5023    0.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3961    4.5239   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7152    5.8511    0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8781    6.0590    1.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0598    7.3475    2.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1874    7.5412    3.6580 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0865    8.4395    1.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2251    9.7063    1.9707 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9525    8.2330    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9597    9.2673   -0.7367 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7731    6.9490   -0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7163    4.0519   -1.2786 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2639    2.8139   -1.5271 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3202    0.0775   -0.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6256   -1.1279   -0.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4582   -1.1906   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7585   -2.3607   -0.0437 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3405    2.0131    1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2382    3.5110    1.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8465    5.2320    2.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2606    9.6414    2.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6307    6.8405   -1.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2365    4.5247   -2.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2182    0.1322   -1.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0076   -1.9992   -1.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1464   -3.0068   -0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  2  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  2  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 23 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 1034👍, 0💬