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Molecule:100492
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100492
Abbreviation
tBuxant-(Co(qpy))2  +
ContainsElement
C  +, N  +, Co  +, O  +  and H  +
InChI
1S/C63H54N8O.2Co/c1-61(2,3)41-35-43(39-27- … 1S/C63H54N8O.2Co/c1-61(2,3)41-35-43(39-27-31-66-57(33-39)55-25-15-23-53(70-55)51-21-13-19-49(68-51)47-17-9-11-29-64-47)59-45(37-41)63(7,8)46-38-42(62(4,5)6)36-44(60(46)72-59)40-28-32-67-58(34-40)56-26-16-24-54(71-56)52-22-14-20-50(69-52)48-18-10-12-30-65-48;;/h9-38H,1-8H3;;9-52)48-18-10-12-30-65-48;;/h9-38H,1-8H3;;  +
InChIKey
BRMPVISUICHJBY-UHFFFAOYSA-N  +
MolecularFormula
C<sub>63</sub>H<sub>54</sub>Co<sub>2</sub>N<sub>8</sub>O  +
MolecularMass
1,056.308 g/mol  +
Molfile
-INDIGO-10312214162D 0 0 0 0 0 0 … -INDIGO-10312214162D</br></br> 0 0 0 0 0 0 0 0 0 0 0 V3000</br>M V30 BEGIN CTAB</br>M V30 COUNTS 74 90 0 0 0</br>M V30 BEGIN ATOM</br>M V30 1 C 4.24649 -4.92114 0.0 0</br>M V30 2 C 4.26312 -3.08472 0.0 0</br>M V30 3 C 3.72673 -4.00876 0.0 0</br>M V30 4 C 5.30954 -3.08108 0.0 0</br>M V30 5 C 5.2866 -4.92558 0.0 0</br>M V30 6 C 5.82793 -3.99533 0.0 0</br>M V30 7 C 4.22835 -8.54028 0.0 0</br>M V30 8 C 4.23552 -6.74114 0.0 0</br>M V30 9 C 3.71404 -7.61045 0.0 0</br>M V30 10 C 5.27242 -6.7538 0.0 0</br>M V30 11 C 5.26579 -8.56667 0.0 0</br>M V30 12 C 5.79276 -7.66827 0.0 0</br>M V30 13 O 5.80717 -5.83989 0.0 0</br>M V30 14 C 3.73166 -5.81834 0.0 0</br>M V30 15 C 2.94845 -6.41891 0.0 0</br>M V30 16 C 2.95149 -5.161 0.0 0</br>M V30 17 C 3.69504 -2.23382 0.0 0</br>M V30 18 C 4.56843 -1.62503 0.0 0</br>M V30 19 C 3.07473 -1.37839 0.0 0</br>M V30 20 C 2.82636 -2.85309 0.0 0</br>M V30 21 C 3.62202 -9.3932 0.0 0</br>M V30 22 C 2.97315 -10.2168 0.0 0</br>M V30 23 C 4.46847 -10.0297 0.0 0</br>M V30 24 C 2.77225 -8.73768 0.0 0</br>M V30 25 C 6.98099 -3.98195 0.0 0</br>M V30 26 C 6.94919 -7.65896 0.0 0</br>M V30 27 C 8.21239 -6.91219 0.0 0</br>M V30 28 C 7.36837 -6.91789 0.0 0</br>M V30 29 N 8.70777 -7.54436 0.0 0</br>M V30 30 C 7.38651 -8.41372 0.0 0</br>M V30 31 C 8.28406 -8.34899 0.0 0</br>M V30 32 C 8.34292 -3.24299 0.0 0</br>M V30 33 C 7.41309 -3.19465 0.0 0</br>M V30 34 N 8.80523 -4.06517 0.0 0</br>M V30 35 C 7.43398 -4.74116 0.0 0</br>M V30 36 C 8.3071 -4.72458 0.0 0</br>M V30 37 C 8.80839 -8.98535 0.0 0</br>M V30 38 C 10.2587 -9.41929 0.0 0</br>M V30 39 N 9.76999 -8.72023 0.0 0</br>M V30 40 C 10.0388 -10.1609 0.0 0</br>M V30 41 C 8.63155 -9.80295 0.0 0</br>M V30 42 C 9.24261 -10.3971 0.0 0</br>M V30 43 C 11.1357 -9.30521 0.0 0</br>M V30 44 C 12.4319 -8.6033 0.0 0</br>M V30 45 N 11.4404 -8.57307 0.0 0</br>M V30 46 C 12.8026 -9.32509 0.0 0</br>M V30 47 C 11.5559 -10.0678 0.0 0</br>M V30 48 C 12.4066 -10.056 0.0 0</br>M V30 49 C 12.9811 -7.94142 0.0 0</br>M V30 50 C 13.324 -6.53445 0.0 0</br>M V30 51 N 12.605 -7.17276 0.0 0</br>M V30 52 C 14.1722 -6.76068 0.0 0</br>M V30 53 C 13.8101 -8.18772 0.0 0</br>M V30 54 C 14.4023 -7.57668 0.0 0</br>M V30 55 C 8.8684 -2.57269 0.0 0</br>M V30 56 C 9.28173 -1.10086 0.0 0</br>M V30 57 C 8.66665 -1.72778 0.0 0</br>M V30 58 C 10.1138 -1.32319 0.0 0</br>M V30 59 N 9.87805 -2.82324 0.0 0</br>M V30 60 C 10.3599 -2.08713 0.0 0</br>M V30 61 C 11.2666 -2.18464 0.0 0</br>M V30 62 C 12.5616 -1.37344 0.0 0</br>M V30 63 C 11.6834 -1.38366 0.0 0</br>M V30 64 C 13.01 -2.1294 0.0 0</br>M V30 65 N 11.613 -2.92256 0.0 0</br>M V30 66 C 12.5809 -2.91761 0.0 0</br>M V30 67 C 13.042 -3.65981 0.0 0</br>M V30 68 C 14.359 -4.39563 0.0 0</br>M V30 69 C 13.9123 -3.64175 0.0 0</br>M V30 70 C 13.9318 -5.15897 0.0 0</br>M V30 71 N 12.4906 -4.44246 0.0 0</br>M V30 72 C 13.0396 -5.18477 0.0 0</br>M V30 73 Co 10.637 -3.9363 0.0 0</br>M V30 74 Co 10.4864 -7.6263 0.0 0</br>M V30 END ATOM</br>M V30 BEGIN BOND</br>M V30 1 2 3 1</br>M V30 2 2 4 2</br>M V30 3 1 1 5</br>M V30 4 1 2 3</br>M V30 5 2 5 6</br>M V30 6 1 6 4</br>M V30 7 2 9 7</br>M V30 8 2 10 8</br>M V30 9 1 7 11</br>M V30 10 1 8 9</br>M V30 11 2 11 12</br>M V30 12 1 12 10</br>M V30 13 1 10 13</br>M V30 14 1 14 8</br>M V30 15 1 13 5</br>M V30 16 1 1 14</br>M V30 17 1 14 15</br>M V30 18 1 14 16</br>M V30 19 1 2 17</br>M V30 20 1 17 18</br>M V30 21 1 17 19</br>M V30 22 1 17 20</br>M V30 23 1 7 21</br>M V30 24 1 21 22</br>M V30 25 1 21 23</br>M V30 26 1 21 24</br>M V30 27 1 6 25</br>M V30 28 1 12 26</br>M V30 29 2 28 26</br>M V30 30 2 29 27</br>M V30 31 1 26 30</br>M V30 32 1 27 28</br>M V30 33 2 30 31</br>M V30 34 1 31 29</br>M V30 35 2 33 25</br>M V30 36 2 34 32</br>M V30 37 1 25 35</br>M V30 38 1 32 33</br>M V30 39 2 35 36</br>M V30 40 1 36 34</br>M V30 41 1 31 37</br>M V30 42 2 39 37</br>M V30 43 2 40 38</br>M V30 44 1 37 41</br>M V30 45 1 38 39</br>M V30 46 2 41 42</br>M V30 47 1 42 40</br>M V30 48 1 38 43</br>M V30 49 2 45 43</br>M V30 50 2 46 44</br>M V30 51 1 43 47</br>M V30 52 1 44 45</br>M V30 53 2 47 48</br>M V30 54 1 48 46</br>M V30 55 1 44 49</br>M V30 56 2 51 49</br>M V30 57 2 52 50</br>M V30 58 1 49 53</br>M V30 59 1 50 51</br>M V30 60 2 53 54</br>M V30 61 1 54 52</br>M V30 62 1 32 55</br>M V30 63 2 57 55</br>M V30 64 2 58 56</br>M V30 65 1 55 59</br>M V30 66 1 56 57</br>M V30 67 2 59 60</br>M V30 68 1 60 58</br>M V30 69 1 60 61</br>M V30 70 2 63 61</br>M V30 71 2 64 62</br>M V30 72 1 61 65</br>M V30 73 1 62 63</br>M V30 74 2 65 66</br>M V30 75 1 66 64</br>M V30 76 1 66 67</br>M V30 77 2 69 67</br>M V30 78 2 70 68</br>M V30 79 1 67 71</br>M V30 80 1 68 69</br>M V30 81 2 71 72</br>M V30 82 1 72 70</br>M V30 83 10 73 34</br>M V30 84 10 73 59</br>M V30 85 10 73 65</br>M V30 86 10 73 71</br>M V30 87 10 74 29</br>M V30 88 10 74 39</br>M V30 89 10 74 45</br>M V30 90 10 74 51</br>M V30 END BOND</br>M V30 END CTAB</br>M END 51 M V30 END BOND M V30 END CTAB M END  
Smiles
C12C(C)(C)C3C=C(C(C)(C)C)C=C(C4C=C5C6C=CC=C7C8C=CC=C9C%10C=CC=CN=%10[Co](N=89)(N=67)N5=CC=4)C=3OC1=C(C1C=CN3[Co]45N6=CC=CC=C6C6C=CC=C(N=64)C4C=CC=C(N=45)C=3C=1)C=C(C(C)(C)C)C=2  +
Adminstrative properties
Creation date"Creation date" is a predefined property that corresponds to the date of the first revision of a subject and is provided by <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Special_properties">Semantic MediaWiki</a>.
15:32:15, 3 November 2022  +
Last editor is"Last editor is" is a predefined property that contains the page name of the user who created the last revision and is provided by <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Special_properties">Semantic MediaWiki</a>.
User:127.0.0.1 +
Modification date"Modification date" is a predefined property that corresponds to the date of the last modification of a subject and is provided by <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Special_properties">Semantic MediaWiki</a>.
09:44:24, 7 July 2023  +
Classification properties
Category
Molecule
 
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