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Molecule:100940
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100940
ContainsElement
C  +, N  +, Cu  +, P  +, O  +, H  +, B  +  and F  +
InChI
1S/C36H28OP2.C14H12N2.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2-1(3,4)5;/h1-28H;3-8H,1-2H3;;/q;;2*-1/p+2  +
InChIKey
QVCHJOOPCKCUBW-UHFFFAOYSA-P  +
MolecularFormula
C<sub>50</sub>H<sub>40</sub>BCuF<sub>4</sub>N<sub>2</sub>OP<sub>2</sub>  +
MolecularMass
896.194 g/mol  +
Molfile
-INDIGO-01102515052D 0 0 0 0 0 0 … -INDIGO-01102515052D</br></br> 0 0 0 0 0 0 0 0 0 0 0 V3000</br>M V30 BEGIN CTAB</br>M V30 COUNTS 61 70 0 0 0</br>M V30 BEGIN ATOM</br>M V30 1 C 12.15 -4.31795 0.0 0</br>M V30 2 C 11.65 -5.18397 0.0 0</br>M V30 3 N 10.65 -5.18397 0.0 0</br>M V30 4 C 10.15 -6.05 0.0 0</br>M V30 5 C 9.15 -6.05 0.0 0</br>M V30 6 N 8.65 -5.18397 0.0 0</br>M V30 7 C 7.65 -5.18397 0.0 0</br>M V30 8 C 7.15 -4.31795 0.0 0</br>M V30 9 C 7.15 -6.05 0.0 0</br>M V30 10 C 7.65 -6.91603 0.0 0</br>M V30 11 C 8.65 -6.91603 0.0 0</br>M V30 12 C 9.15 -7.78205 0.0 0</br>M V30 13 C 10.15 -7.78205 0.0 0</br>M V30 14 C 10.65 -6.91603 0.0 0</br>M V30 15 C 11.65 -6.91603 0.0 0</br>M V30 16 C 12.15 -6.05 0.0 0</br>M V30 17 Cu 9.575 -4.05 0.0 0 CHG=1</br>M V30 18 C 7.81136 1.15012 0.0 0</br>M V30 19 C 8.67693 -0.348124 0.0 0</br>M V30 20 C 8.67786 0.649512 0.0 0</br>M V30 21 C 7.81008 -0.848595 0.0 0</br>M V30 22 C 6.94105 0.647646 0.0 0</br>M V30 23 C 6.94684 -0.352412 0.0 0</br>M V30 24 O 9.54272 -0.848527 0.0 0</br>M V30 25 C 10.409 -0.34893 0.0 0</br>M V30 26 C 11.2727 1.15038 0.0 0</br>M V30 27 C 10.4086 0.651784 0.0 0</br>M V30 28 C 12.1399 0.650487 0.0 0</br>M V30 29 C 11.2796 -0.850819 0.0 0</br>M V30 30 C 12.1425 -0.345196 0.0 0</br>M V30 31 P 7.81105 -1.84859 0.0 0</br>M V30 32 P 11.2832 -1.85081 0.0 0</br>M V30 33 C 5.86105 -1.87359 0.0 0</br>M V30 34 C 13.2332 -1.82581 0.0 0</br>M V30 35 C 4.36338 -2.74017 0.0 0</br>M V30 36 C 5.36102 -2.74043 0.0 0</br>M V30 37 C 3.86233 -1.87366 0.0 0</br>M V30 38 C 5.35799 -1.00362 0.0 0</br>M V30 39 C 4.35794 -1.01009 0.0 0</br>M V30 40 C 14.7309 -0.959238 0.0 0</br>M V30 41 C 13.7332 -0.958978 0.0 0</br>M V30 42 C 15.2319 -1.82574 0.0 0</br>M V30 43 C 13.7362 -2.69578 0.0 0</br>M V30 44 C 14.7363 -2.68932 0.0 0</br>M V30 45 C 5.92894 -3.8807 0.0 0</br>M V30 46 C 5.48269 -5.55247 0.0 0</br>M V30 47 C 6.18831 -4.84722 0.0 0</br>M V30 48 C 4.51568 -5.29405 0.0 0</br>M V30 49 C 4.95806 -3.62125 0.0 0</br>M V30 50 C 4.25549 -4.33297 0.0 0</br>M V30 51 C 13.2403 -3.75792 0.0 0</br>M V30 52 C 14.9121 -4.20417 0.0 0</br>M V30 53 C 14.2068 -3.49855 0.0 0</br>M V30 54 C 14.6536 -5.17118 0.0 0</br>M V30 55 C 12.9808 -4.7288 0.0 0</br>M V30 56 C 13.6926 -5.43137 0.0 0</br>M V30 57 B 15.5 0.25 0.0 0 CHG=-1</br>M V30 58 F 15.5 1.25 0.0 0</br>M V30 59 F 14.659 0.125 0.0 0</br>M V30 60 F 16.366 -0.25 0.0 0</br>M V30 61 F 15.5 -0.75 0.0 0</br>M V30 END ATOM</br>M V30 BEGIN BOND</br>M V30 1 1 1 2</br>M V30 2 2 2 3</br>M V30 3 1 3 4</br>M V30 4 2 4 5</br>M V30 5 1 5 6</br>M V30 6 2 6 7</br>M V30 7 1 7 8</br>M V30 8 1 7 9</br>M V30 9 2 9 10</br>M V30 10 1 10 11</br>M V30 11 1 11 5</br>M V30 12 2 11 12</br>M V30 13 1 12 13</br>M V30 14 2 13 14</br>M V30 15 1 14 4</br>M V30 16 1 14 15</br>M V30 17 2 15 16</br>M V30 18 1 16 2</br>M V30 19 2 20 18</br>M V30 20 2 21 19</br>M V30 21 1 18 22</br>M V30 22 1 19 20</br>M V30 23 2 22 23</br>M V30 24 1 23 21</br>M V30 25 1 19 24</br>M V30 26 1 24 25</br>M V30 27 2 27 25</br>M V30 28 2 28 26</br>M V30 29 1 25 29</br>M V30 30 1 26 27</br>M V30 31 2 29 30</br>M V30 32 1 30 28</br>M V30 33 1 21 31</br>M V30 34 1 29 32</br>M V30 35 1 31 33</br>M V30 36 1 32 34</br>M V30 37 2 36 33</br>M V30 38 2 37 35</br>M V30 39 1 33 38</br>M V30 40 1 35 36</br>M V30 41 2 38 39</br>M V30 42 1 39 37</br>M V30 43 2 41 34</br>M V30 44 2 42 40</br>M V30 45 1 34 43</br>M V30 46 1 40 41</br>M V30 47 2 43 44</br>M V30 48 1 44 42</br>M V30 49 8 6 17</br>M V30 50 8 17 3</br>M V30 51 1 31 45</br>M V30 52 2 47 45</br>M V30 53 2 48 46</br>M V30 54 1 45 49</br>M V30 55 1 46 47</br>M V30 56 2 49 50</br>M V30 57 1 50 48</br>M V30 58 1 32 51</br>M V30 59 2 53 51</br>M V30 60 2 54 52</br>M V30 61 1 51 55</br>M V30 62 1 52 53</br>M V30 63 2 55 56</br>M V30 64 1 56 54</br>M V30 65 8 17 31</br>M V30 66 8 17 32</br>M V30 67 1 57 58</br>M V30 68 1 57 59</br>M V30 69 1 57 60</br>M V30 70 1 57 61</br>M V30 END BOND</br>M V30 END CTAB</br>M END 61 M V30 END BOND M V30 END CTAB M END  
Smiles
CC1C=CC2C3=C4C(=CC=2)C=CC(C)=N4~[Cu+]2(~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4=CC=CC=C4OC4C=CC=CC=4P~2(C2C=CC=CC=2)C2C=CC=CC=2)~N=13.[B-](F)(F)(F)F  +
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>.
11:50:02, 14 May 2024  +
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>.
14:06:05, 10 January 2025  +
Classification properties
Category
Molecule
 
CO2 reduction experiments testing different catalysts +, CO2 reduction experiments testing different catalysts +, CO2 reduction experiments testing different catalysts +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +, Optimization of CO2 reduction conditions +
PSContains the molecule used as the photosensitizer in an experiment or molecular process. ᵖ
 
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