Molecule Editor

Molecule ID: FYI-1005425 Edit

Molecule Structure InChIKey: VHEJSKBCDZGLLS-DAJBKUBHSA-N

Molecule Structure SMILES String: c%12ccc(c4c6ccc7c(c1ccccc1)c%10ccc%11c(c2ccccc2)c9ccc8c(c3ccccc3)c5ccc4[n+]5[Ni](n67)(n89)[n+]%10%11)cc%12

Download SDF Download SVG Structure in 2D SDF:

FYI-1005425
FYIcenter.com

 49 60  0  0  0  0  0  0  0  0999 V2000
    4.8860    2.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645    3.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430    2.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215    3.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215    0.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430    1.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6163    5.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    6.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5927    6.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8860    5.4176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1075    4.7124    0.0000 Ni  0  0  0  0  0  0  0  0  0  0  0  0
    7.1770    5.6775    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0618    7.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0333    8.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2121    8.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864    6.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7232    7.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6936    9.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7020    9.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7385   11.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4635   11.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3036   11.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4187    9.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5304    5.1267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    4.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7456    5.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3097    6.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8993    6.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5349    7.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0363    8.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4412    8.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0350   10.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2240   11.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8191   11.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3097    9.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4570    3.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6170    2.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5019    0.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9368    0.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0519    2.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8919    2.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1558    2.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5821    1.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793    1.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1075    3.3019    0.0000 N   0  3  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  2  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
 20 12  1  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 14  1  0  0  0  0
 28 27  1  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
 31 27  1  0  0  0  0
 32 31  2  0  0  0  0
 32 16  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 28  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
 49 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005425-3D
FYIcenter.com

 77 88  0  0  0  0  0  0  0  0999 V2000
    1.3088   -0.3813    0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9521    0.8082   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3907    1.1100   -0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3661    0.2140   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7902    0.5087   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8556   -0.0605    0.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7512   -0.7797    1.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9239   -1.5287    1.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6424   -1.1880    0.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5928   -1.9845   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7390   -3.3724    0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7199   -4.0675    0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9228   -5.4060    1.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1336   -6.0249    0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1397   -5.3096    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9342   -3.9840   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1740   -1.4123   -1.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0192   -1.8942   -2.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8408   -0.8024   -2.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3813    0.2956   -1.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9640    1.5308   -1.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3991    1.7297   -1.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2846    0.6476   -1.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6617    0.8805   -1.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1513    2.1871   -1.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2635    3.2593   -1.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8883    3.0315   -1.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1764    2.4321   -0.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5395    3.5888    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3933    4.3577    0.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4346    3.6128   -0.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3152    3.9909   -1.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0341    5.3720   -1.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6970    5.8156   -1.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4147    7.1238   -1.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4437    7.9689   -2.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7684    7.5295   -2.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0615    6.2386   -1.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171    3.0272   -1.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2801    3.0499   -2.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5327    1.8872   -2.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1934    1.2900   -1.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4186    1.8520   -1.1691 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.8255    0.8609   -1.1354 Ni  0  0  3  0  0  0  0  0  0  0  0  0
   -5.0891   -0.1353    0.2163 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8376    2.3438   -0.6116 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2749   -0.0785   -1.1168 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0115   -0.9975    0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242   -1.2867    0.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3486   -0.5995    0.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200    1.5030   -0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678    2.0493   -0.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8891   -0.8525    2.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1358   -2.3060    2.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8043   -3.5630    1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1586   -5.9297    1.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2936   -7.0415    1.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0761   -5.7896   -0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6989   -3.4274   -0.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0412   -2.8642   -2.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6161   -0.7366   -3.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9219   -0.3694   -1.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3588    0.0556   -1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2094    2.3729   -1.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6437    4.2707   -1.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2055    3.8729   -1.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5275    3.8658    0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2974    5.3456    0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8934    5.1640   -1.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3702    7.4464   -1.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2188    8.9479   -2.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5690    8.1830   -2.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1069    5.9037   -1.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1232    3.7855   -3.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6638    1.5436   -2.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7842   -1.7104    0.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5914   -2.2049    1.3012 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 42  2  0  0  0  0
  6  7  2  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 53  1  0  0  0  0
  8  9  2  0  0  0  0
  8 54  1  0  0  0  0
  9 10  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 55  1  0  0  0  0
 13 14  1  0  0  0  0
 13 56  1  0  0  0  0
 14 15  2  0  0  0  0
 14 57  1  0  0  0  0
 15 16  1  0  0  0  0
 15 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  2  0  0  0  0
 18 60  1  0  0  0  0
 19 20  1  0  0  0  0
 19 61  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  2  0  0  0  0
 21 22  1  0  0  0  0
 21 28  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 62  1  0  0  0  0
 24 25  1  0  0  0  0
 24 63  1  0  0  0  0
 25 26  2  0  0  0  0
 25 64  1  0  0  0  0
 26 27  1  0  0  0  0
 26 65  1  0  0  0  0
 27 66  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
 29 30  2  0  0  0  0
 29 67  1  0  0  0  0
 30 31  1  0  0  0  0
 30 68  1  0  0  0  0
 31 32  2  0  0  0  0
 31 46  1  0  0  0  0
 32 33  1  0  0  0  0
 32 39  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  2  0  0  0  0
 34 35  2  0  0  0  0
 34 69  1  0  0  0  0
 35 36  1  0  0  0  0
 35 70  1  0  0  0  0
 36 37  2  0  0  0  0
 36 71  1  0  0  0  0
 37 38  1  0  0  0  0
 37 72  1  0  0  0  0
 38 73  1  0  0  0  0
 39 40  1  0  0  0  0
 39 43  2  0  0  0  0
 40 41  2  0  0  0  0
 40 74  1  0  0  0  0
 41 42  1  0  0  0  0
 41 75  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 44 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
$$$$