Editing Molecule:100971

{{Molecule
|trivialname=
|abbrev=
|molecularFormula=C<sub>42</sub>H<sub>34</sub>F<sub>10</sub>IrN<sub>4</sub>+
|molecularMass=977.22475710809
|synonyms=
|hasVendors=
|moleculeKey=OZUQNBMGKZFLJQ-UHFFFAOYSA-N
|molOrRxn=
  -INDIGO-11172411402D

  0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 57 65 2 0 0
M  V30 BEGIN ATOM
M  V30 1 Ir -0.352408 -0.02048 0.0 0 CHG=1
M  V30 2 C -3.22713 1.53262 0.0 0
M  V30 3 C -3.23259 0.70764 0.0 0
M  V30 4 C -2.52086 0.290423 0.0 0
M  V30 5 C -1.80368 0.698189 0.0 0
M  V30 6 C -1.79822 1.52317 0.0 0
M  V30 7 C -2.50995 1.94039 0.0 0
M  V30 8 C -1.08104 1.93094 0.0 0
M  V30 9 N -0.369308 1.51372 0.0 0
M  V30 10 C 0.347875 1.92148 0.0 0
M  V30 11 C 0.353331 2.74647 0.0 0
M  V30 12 C -0.358395 3.16368 0.0 0
M  V30 13 C -1.07558 2.75592 0.0 0
M  V30 14 C 2.50507 1.62732 0.0 0
M  V30 15 C 1.78864 2.03641 0.0 0
M  V30 16 C 1.07615 1.62049 0.0 0
M  V30 17 N 1.08009 0.795504 0.0 0
M  V30 18 C 1.79652 0.386423 0.0 0
M  V30 19 C 2.50901 0.802334 0.0 0
M  V30 20 C 1.80047 -0.438567 0.0 0
M  V30 21 N 1.08798 -0.854477 0.0 0
M  V30 22 C 1.09192 -1.67947 0.0 0
M  V30 23 C 1.80835 -2.08855 0.0 0
M  V30 24 C 2.52084 -1.67264 0.0 0
M  V30 25 C 2.5169 -0.847647 0.0 0
M  V30 26 C -2.47922 -0.244491 0.0 0
M  V30 27 C -3.19695 -0.65131 0.0 0
M  V30 28 C -3.20349 -1.47628 0.0 0
M  V30 29 C -2.49231 -1.89444 0.0 0
M  V30 30 C -1.77459 -1.48762 0.0 0
M  V30 31 C -1.76805 -0.662645 0.0 0
M  V30 32 C -1.06342 -1.90577 0.0 0
M  V30 33 C -1.06996 -2.73075 0.0 0
M  V30 34 C -0.358784 -3.1489 0.0 0
M  V30 35 C 0.358936 -2.74208 0.0 0
M  V30 36 C 0.365481 -1.91711 0.0 0
M  V30 37 N -0.345696 -1.49895 0.0 0
M  V30 38 C 3.21756 2.04324 0.0 0
M  V30 39 C 3.23728 -2.08172 0.0 0
M  V30 40 F -2.50449 2.76537 0.0 0
M  V30 41 F -3.94977 0.299875 0.0 0
M  V30 42 F -3.90812 -0.233155 0.0 0
M  V30 43 F -2.49886 -2.71941 0.0 0
M  V30 44 C 3.21362 2.86823 0.0 0
M  V30 45 C 3.934 1.63416 0.0 0
M  V30 46 C 3.93005 2.45915 0.0 0
M  V30 47 C 3.24122 -2.90671 0.0 0
M  V30 48 C 3.94977 -1.66581 0.0 0
M  V30 49 C 3.23334 -1.25673 0.0 0
M  V30 50 C 1.07052 3.15423 0.0 0
M  V30 51 F 1.47828 2.43705 0.0 0
M  V30 52 F 1.7877 3.562 0.0 0
M  V30 53 F 0.66275 3.87141 0.0 0
M  V30 54 C 1.07011 -3.16024 0.0 0
M  V30 55 F 0.651958 -3.87141 0.0 0
M  V30 56 F 1.78129 -3.57839 0.0 0
M  V30 57 F 1.48827 -2.44906 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 50 51
M  V30 2 1 50 52
M  V30 3 1 50 53
M  V30 4 1 11 50
M  V30 5 1 54 55
M  V30 6 1 54 56
M  V30 7 1 54 57
M  V30 8 1 35 54
M  V30 9 2 2 3
M  V30 10 1 3 4
M  V30 11 2 4 5
M  V30 12 1 5 6
M  V30 13 2 6 7
M  V30 14 1 7 2
M  V30 15 1 6 8
M  V30 16 2 8 9
M  V30 17 1 9 10
M  V30 18 2 10 11
M  V30 19 1 11 12
M  V30 20 2 12 13
M  V30 21 1 13 8
M  V30 22 2 14 15
M  V30 23 1 15 16
M  V30 24 2 16 17
M  V30 25 1 17 18
M  V30 26 2 18 19
M  V30 27 1 19 14
M  V30 28 1 18 20
M  V30 29 2 20 21
M  V30 30 1 21 22
M  V30 31 2 22 23
M  V30 32 1 23 24
M  V30 33 2 24 25
M  V30 34 1 25 20
M  V30 35 2 26 27
M  V30 36 1 27 28
M  V30 37 2 28 29
M  V30 38 1 29 30
M  V30 39 2 30 31
M  V30 40 1 31 26
M  V30 41 1 30 32
M  V30 42 2 32 33
M  V30 43 1 33 34
M  V30 44 2 34 35
M  V30 45 1 35 36
M  V30 46 2 36 37
M  V30 47 1 37 32
M  V30 48 10 17 1
M  V30 49 10 21 1
M  V30 50 10 37 1
M  V30 51 1 31 1
M  V30 52 1 14 38
M  V30 53 1 24 39
M  V30 54 1 7 40
M  V30 55 1 3 41
M  V30 56 1 27 42
M  V30 57 1 29 43
M  V30 58 1 38 44
M  V30 59 1 38 45
M  V30 60 1 38 46
M  V30 61 1 39 47
M  V30 62 1 39 48
M  V30 63 1 39 49
M  V30 64 1 5 1
M  V30 65 10 9 1
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(4 50 51 52 53) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0-
M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
M  V30 00) LABEL=CF3
M  V30 2 SUP 2 ATOMS=(4 54 55 56 57) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0-
M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
M  V30 00) LABEL=CF3
M  V30 END SGROUP
M  V30 END CTAB
M  END
|smiles=[Ir+]1(N2C=C(C=CC=2C2=C(F)C=C(F)C=C21)C(F)(F)F)1(C2C=C(F)C=C(F)C=2C2N1=CC(=CC=2)C(F)(F)F)1N2C=CC(C(C)(C)C)=CC=2C2=CC(C(C)(C)C)=CC=N21
|inchi=1S/C18H24N2.2C12H5F5N.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;/h7-12H,1-6H3;2*1-2,4-6H;/q;;;+1
|inchikey=OZUQNBMGKZFLJQ-UHFFFAOYSA-N
|width=300px
|height=200px
|float=none
|parent=
}}