Molecule FYI-1005420

A

Molecule Summary:

ID: FYI-1005420
Names:
InChIKey: XPVVGUHKLPZAEN-QRZYABFESA-N
SMILES: c%10ccc(c6c1ccc(n1)c(c2ccccc2)c8ccc9c(c3ccccc3)c4ccc(n4)c(c5ccccc5)c7ccc6n7[Zn]n89)cc%10

Received at FYIcenter.com on: 2023-10-28

Molecule ID: FYI-1005420 Edit

Molecule Structure InChIKey: XPVVGUHKLPZAEN-QRZYABFESA-N

Molecule Structure SMILES String: c%10ccc(c6c1ccc(n1)c(c2ccccc2)c8ccc9c(c3ccccc3)c4ccc(n4)c(c5ccccc5)c7ccc6n7[Zn]n89)cc%10

Download SDF Download SVG Structure in 2D SDF:

FYI-1005420
FYIcenter.com

 49 58  0  0  0  0  0  0  0  0999 V2000
    7.2246    1.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7576    2.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5157    1.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2737    2.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0168    2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1097    0.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2776    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4454    0.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7687    3.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5095    5.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0323    5.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8963    5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621    4.5864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3654    6.2083    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    5.6976    6.7412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8511    6.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3198    7.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3012    8.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427    7.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926    7.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3790    6.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    5.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2516    4.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0275    3.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3541    3.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5269    5.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971    8.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0504    7.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7544    6.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8298    8.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7087    4.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5445    3.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2273    2.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2039    1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5743    1.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6803    3.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9044    4.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5449    4.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4923    4.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2945    4.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277    2.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3016    2.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3251    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3547    3.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2359    2.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5374    1.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1117    3.1545    0.0000 N   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  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
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 27  1  0  0  0  0
 32 29  2  0  0  0  0
 32 12  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 38 33  1  0  0  0  0
 39 16  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 45 40  1  0  0  0  0
 46 39  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 48  1  1  0  0  0  0
 49 46  2  0  0  0  0
 49  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005420-3D
FYIcenter.com

 77 86  0  0  0  0  0  0  0  0999 V2000
    0.2298    1.2993   -0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7599    2.2653   -0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0133    1.8910   -1.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3491    0.5504   -1.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8445    0.0424   -2.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4360    0.4305   -2.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5442   -0.6302   -3.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8272   -0.0338   -3.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6085    1.3222   -2.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1218    1.5445   -2.6824 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6098    2.1769   -2.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1799    2.2483   -2.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0320    2.9656   -1.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3931    3.2689   -1.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9455    2.8436   -2.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1715    2.0881   -3.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8253    1.7850   -3.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0327    3.1604   -1.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4638    4.4561   -1.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5723    4.9943   -0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6873    3.9767    0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5471    4.0266    0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8477    5.4192    0.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0104    6.4517   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6697    7.7984    0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1518    8.1541    1.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9146    7.1650    2.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2387    5.8153    2.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3050    2.7616    1.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9934    2.2652    1.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1598    0.8775    1.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6698    0.4827    1.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2587    1.6193    1.5376 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1640   -1.0866    1.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4164   -2.0764    0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3236   -1.5999   -0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2417   -2.4367   -1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3213   -3.7952   -0.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4869   -4.3526    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5376   -3.5416    0.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2229   -1.4284    0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5192   -2.5563    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6557   -2.1458   -0.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1353   -0.8918   -1.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9930   -0.4727   -0.4797 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9718    1.1885   -0.5646 Zn  0  0  0  0  0  0  0  0  0  0  0  0
   -6.9507    2.8497   -0.6494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2376   -0.3742   -1.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123   -0.0022   -0.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709    1.5710    0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5410    3.2452   -0.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7205    2.6955   -1.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4821   -1.7103   -3.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8056   -0.5226   -3.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6720    3.3644   -0.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0090    3.8394   -0.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9697    3.1110   -3.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6146    1.7773   -4.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2574    1.2553   -4.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3124    4.9719   -1.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5855    6.0111    0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4621    6.2701   -1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8522    8.5857   -0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9508    9.2014    1.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5240    7.4534    3.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1075    5.0973    2.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0476    2.8182    1.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2807    0.2346    1.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2952   -0.5767   -0.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8921   -2.0509   -1.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0124   -4.4193   -1.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5773   -5.4448    0.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9075   -4.1261    1.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5568   -3.5466    0.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9020   -2.7535   -1.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639   -1.4268   -1.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865   -0.7235   -0.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 49  2  0  0  0  0
  1 50  1  0  0  0  0
  2  3  2  0  0  0  0
  2 51  1  0  0  0  0
  3  4  1  0  0  0  0
  3 52  1  0  0  0  0
  4  5  1  0  0  0  0
  4 48  2  0  0  0  0
  5  6  1  0  0  0  0
  5 44  2  3  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  7 53  1  0  0  0  0
  8  9  1  0  0  0  0
  8 54  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  3  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 55  1  0  0  0  0
 14 15  1  0  0  0  0
 14 56  1  0  0  0  0
 15 16  2  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 19  2  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 60  1  0  0  0  0
 20 21  2  0  0  0  0
 20 61  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  2  3  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 62  1  0  0  0  0
 25 26  1  0  0  0  0
 25 63  1  0  0  0  0
 26 27  2  0  0  0  0
 26 64  1  0  0  0  0
 27 28  1  0  0  0  0
 27 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 30  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  2  0  0  0  0
 30 67  1  0  0  0  0
 31 32  1  0  0  0  0
 31 68  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 41  2  3  0  0  0
 35 36  1  0  0  0  0
 35 40  2  0  0  0  0
 36 37  2  0  0  0  0
 36 69  1  0  0  0  0
 37 38  1  0  0  0  0
 37 70  1  0  0  0  0
 38 39  2  0  0  0  0
 38 71  1  0  0  0  0
 39 40  1  0  0  0  0
 39 72  1  0  0  0  0
 40 73  1  0  0  0  0
 41 42  1  0  0  0  0
 41 45  1  0  0  0  0
 42 43  2  0  0  0  0
 42 74  1  0  0  0  0
 43 44  1  0  0  0  0
 43 75  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 48 49  1  0  0  0  0
 48 76  1  0  0  0  0
 49 77  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 3170👍, 0💬