Molecule FYI-1003053

A

Molecule Summary:

ID: FYI-1003053
Names:
InChIKey: GOTQYQJBHFXCPO-UHFFFAOYSA-N
SMILES: N#Cc3cc(c2ccc(c1cc(F)c(O)c(F)c1)cn2)ccc3O

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

Molecule ID: FYI-1003053 Edit

Molecule Structure InChIKey: GOTQYQJBHFXCPO-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc3cc(c2ccc(c1cc(F)c(O)c(F)c1)cn2)ccc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003053
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4688    8.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    7.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7222    5.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5451    4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9374    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7603    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1909    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0138    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4443    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4061    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2290    0.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9755    2.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3679    2.8507    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1527    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069    6.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6840    7.2347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382    9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153   10.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229   10.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    9.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0764    8.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847   11.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541   13.1905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  2  0  0  0  0
 16  2  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
  1 21  1  0  0  0  0
  1 17  2  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003053-3D
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.5922    0.1012    1.9112 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5952    0.0489    1.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    0.0663    0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5473    1.2743    0.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7701    1.3631   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4728    2.6545   -0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4268    3.6403    0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9635    4.9002    0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5434    5.1838   -0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9916    6.5459   -1.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0974    6.7756   -2.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4637    8.0753   -2.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5124    8.2656   -3.2025 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7578    9.1759   -1.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1170   10.4438   -2.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6736    8.9705   -1.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9668   10.0077   -0.6160 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2895    7.6778   -0.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6087    4.1066   -1.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1027    2.8666   -1.4910 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2627    0.1883   -0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5702   -1.0250   -0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612   -1.0787    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726   -2.2560    0.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1085    2.1662    0.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9558    3.4584    1.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8946    5.6616    1.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6951    5.9550   -2.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8798   10.3724   -2.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4114    7.5769   -0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0519    4.2117   -2.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1984    0.2210   -1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9872   -1.9076   -1.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1211   -2.9351   -0.4286 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 23  2  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 24 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 2959👍, 0💬