Molecule FYI-1007870

A

Molecule Summary:

ID: FYI-1007870
Names:
InChIKey: BWLAZVJHKMZKIO-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc1cc([N+](=O)O)ccc1CN2CCOCC2)n3)c4

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007870 Edit

Molecule Structure InChIKey: BWLAZVJHKMZKIO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc1cc([N+](=O)O)ccc1CN2CCOCC2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007870
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 O   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  2  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  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
 31 20  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007870-3D
FYIcenter.com

 56 59  0  0  0  0  0  0  0  0999 V2000
    6.1824    4.8511  -10.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7052    3.8925   -9.8414 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.0073    3.9423   -9.4426 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9403    2.7293   -9.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1259    2.1391  -10.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4978    0.9426  -10.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6639    0.3715   -8.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4426    1.0154   -7.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6345    0.4560   -6.6383 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3869    0.9034   -5.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1033    0.2702   -4.3934 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8048    0.6502   -3.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    1.6531   -3.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9721    2.2996   -4.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7876    3.4894   -4.5023 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6078    4.2357   -5.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792    4.7211   -6.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0111    5.5766   -7.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5356    6.1257   -8.7010 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.3555    6.3705   -8.8178 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3415    6.2549   -9.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2640    5.9753   -7.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6532    5.6005   -5.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8333    4.7771   -4.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3135    4.5750   -3.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0454    5.7302   -2.6164 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6515    5.5219   -1.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020    4.4962   -0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5288    4.8601   -0.2428 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8659    5.0608   -1.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6146    6.0361   -2.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2907    1.9119   -5.6495 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0904    2.1823   -8.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0947    4.9106   -9.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0200    2.5967  -11.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8897    0.4387  -10.9041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1869   -0.5704   -8.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9774   -0.2414   -6.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5683    0.1232   -2.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042    1.8982   -2.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1166    4.1743   -4.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1755    4.4823   -6.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1883    6.5386   -9.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9116    6.6296   -7.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5889    5.9971   -5.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4071    4.4667   -3.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9545    3.6247   -3.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6407    6.4869   -0.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7056    5.2387   -1.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3526    4.4674    0.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9681    3.4832   -0.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8743    5.4692   -1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7131    4.0901   -1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5579    7.0339   -1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0852    6.1372   -3.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7312    2.7121   -7.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  2  0  0  0  0
  5  6  2  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  2  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  2  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  2  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 33 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 141👍, 0💬