Molecule FYI-1003159

A

Molecule Summary:

ID: FYI-1003159
Names:
InChIKey: LHOVZUDCJXXGNU-UHFFFAOYSA-N
SMILES: c8ccc(C[n+]7cc4c(c2ccc1OCOc1c2)nn(c3ccccc3)c4c6cc5OCOc5cc67)cc8

Received at FYIcenter.com on: 2023-05-17

Molecule ID: FYI-1003159 Edit

Molecule Structure InChIKey: LHOVZUDCJXXGNU-UHFFFAOYSA-N

Molecule Structure SMILES String: c8ccc(C[n+]7cc4c(c2ccc1OCOc1c2)nn(c3ccccc3)c4c6cc5OCOc5cc67)cc8

Download SDF Download SVG Structure in 2D SDF:

FYI-1003159
FYIcenter.com

 38 45  0  0  0  0  0  0  0  0999 V2000
    5.4166    4.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0471    4.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1104    3.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533    5.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456    5.2277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    6.5068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6845    6.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6212    5.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9907    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4233    7.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4866    8.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1171    8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.8435    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0623    9.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275   11.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580   13.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657   13.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492    3.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9123    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430    1.0405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7797    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0587    0.5695    0.0000 O   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  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  2  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  2  0  0  0  0
 25 17  1  0  0  0  0
 26 16  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
 33  1  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35  3  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 38 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003159-3D
FYIcenter.com

 60 67  0  0  0  0  0  0  0  0999 V2000
   -2.5484    3.0307    3.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3705    1.9149    3.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4223    0.9299    2.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6559    1.0604    1.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6754    0.0980    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6292   -1.0516    0.1530 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.0767   -2.2205    0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7798   -3.3917    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4741   -4.7694    0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2856   -5.3981    1.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4444   -6.6035    1.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -7.2368    2.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1227   -6.6694    2.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479   -7.1608    2.7357 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9879   -6.3444    2.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3708   -5.1675    1.4346 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0572   -5.5229    1.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9963   -4.8597    0.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5020   -5.5275    0.0811 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4432   -4.7085   -0.4358 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6721   -5.3125   -0.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1649   -6.3766   -0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4571   -6.8611   -0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2527   -6.3023   -1.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7214   -5.3314   -2.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4128   -4.8751   -1.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0602   -3.3534   -0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6879   -2.0856   -0.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0102   -1.9030   -1.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5012   -0.6369   -1.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7256   -0.3306   -1.7729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7166    1.1099   -1.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4583    1.6220   -1.1653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7753    0.4677   -0.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4963    0.3656   -0.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9106   -0.9203   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167    2.1837    1.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7621    3.1618    2.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5164    3.7992    4.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9802    1.8256    4.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0832    0.0806    2.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6691   -0.3186   -0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9045    0.6308   -0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0960   -2.2074    0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4260   -7.0713    1.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4926   -8.1582    2.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4065   -6.9486    1.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8027   -6.0421    2.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7804   -3.9872    0.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5757   -6.8072    0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8502   -7.6560    0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2791   -6.6408   -1.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3375   -4.9237   -2.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0037   -4.1676   -2.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7054   -2.7017   -1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9066    1.5476   -2.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5204    1.4070   -0.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0037    1.2846   -0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1944    2.3205    0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1137    4.0262    1.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  2  0  0  0  0
  1 39  1  0  0  0  0
  2  3  2  0  0  0  0
  2 40  1  0  0  0  0
  3  4  1  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  2  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  2  0  0  0  0
  7  8  2  0  0  0  0
  7 44  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 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 50  1  0  0  0  0
 23 24  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  2  0  0  0  0
 24 52  1  0  0  0  0
 25 26  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 36  1  0  0  0  0
 29 30  2  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 58  1  0  0  0  0
 37 38  1  0  0  0  0
 37 59  1  0  0  0  0
 38 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1767👍, 0💬