Molecule:100880: Difference between revisions

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molecule
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(2 intermediate revisions by the same user not shown)
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|trivialname=
|trivialname=
|abbrev=
|abbrev=
|molecularFormula=C<sub>132</sub>H<sub>108</sub>N<sub>6</sub>O<sub>12</sub>P<sub>6</sub>Re<sub>3</sub>+<sub>3</sub>
|molecularFormula=C<sub>132</sub>H<sub>108</sub>F<sub>18</sub>N<sub>6</sub>O<sub>12</sub>P<sub>9</sub>Re<sub>3</sub>
|molecularMass=2715.5107062363
|molecularMass=3150.404894826
|synonyms=
|synonyms=
|hasVendors=
|hasVendors=
|moleculeKey=TXXVPJDCTJFCJM-UHFFFAOYSA-T
|moleculeKey=VAJKGYDPDYOVPF-UHFFFAOYSA-T
|molOrRxn=
|molOrRxn=
     RDKit          2D
     RDKit          2D
Line 12: Line 12:
   0  0  0  0  0  0  0  0  0  0999 V3000
   0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 BEGIN CTAB
M  V30 COUNTS 159 183 0 0 0
M  V30 COUNTS 180 201 0 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 C 6.35983 -3.83559 0 0
M  V30 1 C 6.35983 -3.83559 0 0
Line 161: Line 161:
M  V30 146 N 3.49324 -8.62354 0 0
M  V30 146 N 3.49324 -8.62354 0 0
M  V30 147 C 3.04337 -7.85585 0 0
M  V30 147 C 3.04337 -7.85585 0 0
M  V30 148 O 4.82786 -12.4793 0 0
M  V30 148 P 16.625 -2.225 0 0 CHG=-1
M  V30 149 C 4.07789 -13.7784 0 0
M  V30 149 F 16.125 -1.35897 0 0
M  V30 150 O 1.71137 -7.08835 0 0
M  V30 150 F 16.125 -3.09103 0 0
M  V30 151 C 2.45925 -5.78809 0 0
M  V30 151 F 17.625 -2.225 0 0
M  V30 152 O 14.1785 -12.4648 0 0
M  V30 152 F 17.125 -1.35897 0 0
M  V30 153 C 12.6785 -12.4672 0 0
M  V30 153 F 17.125 -3.09103 0 0
M  V30 154 O 17.2895 -7.07069 0 0
M  V30 154 F 15.625 -2.225 0 0
M  V30 155 C 18.7895 -7.07156 0 0
M  V30 155 P 2.775 -2.375 0 0 CHG=-1
M  V30 156 O 6.3044 0.786395 0 0
M  V30 156 F 2.275 -1.50897 0 0
M  V30 157 C 5.55519 2.08589 0 0
M  V30 157 F 2.275 -3.24103 0 0
M  V30 158 O 12.5314 0.789322 0 0
M  V30 158 F 3.775 -2.375 0 0
M  V30 159 C 13.2835 -0.508477 0 0
M  V30 159 F 3.275 -1.50897 0 0
M  V30 160 F 3.275 -3.24103 0 0
M  V30 161 F 1.775 -2.375 0 0
M  V30 162 P 9.55 -13.35 0 0 CHG=-1
M  V30 163 F 9.05 -12.484 0 0
M  V30 164 F 9.05 -14.216 0 0
M  V30 165 F 10.55 -13.35 0 0
M  V30 166 F 10.05 -12.484 0 0
M  V30 167 F 10.05 -14.216 0 0
M  V30 168 F 8.55 -13.35 0 0
M  V30 169 O 4.82786 -12.4793 0 0
M  V30 170 C 4.07789 -13.7784 0 0
M  V30 171 O 1.71137 -7.08835 0 0
M  V30 172 C 2.45925 -5.78809 0 0
M  V30 173 O 14.1785 -12.4648 0 0
M  V30 174 C 12.6785 -12.4672 0 0
M  V30 175 O 17.2895 -7.07069 0 0
M  V30 176 C 18.7895 -7.07156 0 0
M  V30 177 O 6.3044 0.786395 0 0
M  V30 178 C 5.55519 2.08589 0 0
M  V30 179 O 12.5314 0.789322 0 0
M  V30 180 C 13.2835 -0.508477 0 0
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
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M  V30 171 10 27 134
M  V30 171 10 27 134
M  V30 172 1 148 149
M  V30 172 1 148 149
M  V30 173 1 138 148
M  V30 173 1 148 150
M  V30 174 1 150 151
M  V30 174 1 148 151
M  V30 175 1 145 150
M  V30 175 1 148 152
M  V30 176 1 152 153
M  V30 176 1 148 153
M  V30 177 1 121 152
M  V30 177 1 148 154
M  V30 178 1 154 155
M  V30 178 1 155 156
M  V30 179 1 114 154
M  V30 179 1 155 157
M  V30 180 1 156 157
M  V30 180 1 155 158
M  V30 181 1 126 156
M  V30 181 1 155 159
M  V30 182 1 158 159
M  V30 182 1 155 160
M  V30 183 1 133 158
M  V30 183 1 155 161
M  V30 184 1 162 163
M  V30 185 1 162 164
M  V30 186 1 162 165
M  V30 187 1 162 166
M  V30 188 1 162 167
M  V30 189 1 162 168
M  V30 190 1 169 170
M  V30 191 1 138 169
M  V30 192 1 171 172
M  V30 193 1 145 171
M  V30 194 1 173 174
M  V30 195 1 121 173
M  V30 196 1 175 176
M  V30 197 1 114 175
M  V30 198 1 177 178
M  V30 199 1 126 177
M  V30 200 1 179 180
M  V30 201 1 133 179
M  V30 END BOND
M  V30 END BOND
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END


|smiles=COc1ccc2n(~[Re+]3(~[C-]#[O+])(~[C-]#[O+])(~P(c4ccccc4)(c4ccccc4)c4ccc(cc4)P(c4ccccc4)(c4ccccc4)~[Re+]4(~[C-]#[O+])(~[C-]#[O+])(~P(c5ccccc5)(c5ccccc5)c5ccc(cc5)P(c5ccccc5)(c5ccccc5)~[Re+]5(~[C-]#[O+])(~[C-]#[O+])(~P(c6ccccc6)(c6ccccc6)c6ccc(cc6)P~3(c3ccccc3)c3ccccc3)~n3cc(OC)ccc3-c3ccc(OC)cn~53)~n3cc(OC)ccc3-c3ccc(OC)cn~43)~n3cc(OC)ccc3-2)c1
|smiles=COc1ccc2n(~[Re+]3(~[C-]#[O+])(~[C-]#[O+])(~P(c4ccccc4)(c4ccccc4)c4ccc(cc4)P(c4ccccc4)(c4ccccc4)~[Re+]4(~[C-]#[O+])(~[C-]#[O+])(~P(c5ccccc5)(c5ccccc5)c5ccc(cc5)P(c5ccccc5)(c5ccccc5)~[Re+]5(~[C-]#[O+])(~[C-]#[O+])(~P(c6ccccc6)(c6ccccc6)c6ccc(cc6)P~3(c3ccccc3)c3ccccc3)~n3cc(OC)ccc3-c3ccc(OC)cn~53)~n3cc(OC)ccc3-c3ccc(OC)cn~43)~n3cc(OC)ccc3-2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
|inchi=InChI=1S/3C30H24P2.3C12H12N2O2.6CO.3Re/c3*1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)29-21-23-30(24-22-29)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28;3*1-15-9-3-5-11(13-7-9)12-6-4-10(16-2)8-14-12;6*1-2;;;/h3*1-24H;3*3-8H,1-2H3;;;;;;;;;/q;;;;;;;;;;;;3*-1/p+6
|inchi=InChI=1S/3C30H24P2.3C12H12N2O2.6CO.3F6P.3Re/c3*1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)29-21-23-30(24-22-29)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28;3*1-15-9-3-5-11(13-7-9)12-6-4-10(16-2)8-14-12;6*1-2;3*1-7(2,3,4,5)6;;;/h3*1-24H;3*3-8H,1-2H3;;;;;;;;;;;;/q;;;;;;;;;;;;6*-1/p+6
|inchikey=TXXVPJDCTJFCJM-UHFFFAOYSA-T
|inchikey=VAJKGYDPDYOVPF-UHFFFAOYSA-T
|width=200
|width=200
|height=200
|height=200

Latest revision as of 13:46, 3 May 2024

‎

Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation n/a
Trivialname n/a
Exact mass 3150.404894826
Molecular formula C132H108F18N6O12P9Re3
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

100880


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Click here to show SMILES and InChI.

Belongs to molecule collection: Molecule collection 100730 ‎

The molecule template was defined here: Rhenium(I) trinuclear rings as highly efficient redox photosensitizers for photocatalytic CO2 reduction

Molecule is used on following pages

topic
investigation

Molecule roles

Investigation type Photosensitizer
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments
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