Molecule:100730: Difference between revisions

Key (SMILES + RGroups)	c18fa81c388f076c64381c465a2ea02f
SMILES	C1C=C2P(C3C=CC=CC=3)(C3C=CC=CC=3)~[Re+]3(N4=C(C5N3=CC([])=C([])C=5)C=C([])C([])=C4)([C-]#[O+])([C-]#[O+])~P(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC(P(C4C=CC=CC=4)(C4C=CC=CC=4)~[Re+]4(N5=C(C6N4=CC([])=C([])C=6)C=C([])C([])=C5)([C-]#[O+])([C-]#[O+])~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC(P(C5C=CC=CC=5)(C5C=CC=CC=5)~[Re+]5(N6=CC([])=C([])C=C6C6C=C([])C([])=CN=65)([C-]#[O+])([C-]#[O+])~P(C5C=CC=CC=5)(C5C=CC=CC=5)C=1C=C2)=CC=4)=CC=3.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F

Latest revision as of 20:18, 26 April 2024

‎

100730

Click here to show SMILES and Molecule-Key.

R-Groups[edit source]

Molecule	Publication	R1	R2
100877	Rhenium(I) trinuclear rings as highly efficient redox photosensitizers for photocatalytic CO2 reduction	H	CH3
100878	Rhenium(I) trinuclear rings as highly efficient redox photosensitizers for photocatalytic CO2 reduction	CH3	H
100879	Rhenium(I) trinuclear rings as highly efficient redox photosensitizers for photocatalytic CO2 reduction	CH3	CH3
100880	Rhenium(I) trinuclear rings as highly efficient redox photosensitizers for photocatalytic CO2 reduction	H	OMe

‎

Molecule is used on following pages

publication

Rhenium(I) trinuclear rings as highly efficient redox photosensitizers for photocatalytic CO2 reduction

@@ Line 2: / Line 2: @@
 |trivialname=
 |abbrev=
-|molecularFormula=C<sub>126</sub>H<sub>90</sub>*<sub>12</sub>N<sub>6</sub>O<sub>6</sub>P<sub>6</sub>Re<sub>3</sub>+<sub>3</sub>
+|molecularFormula=C<sub>126</sub>H<sub>84</sub>*<sub>12</sub>F<sub>18</sub>N<sub>6</sub>O<sub>6</sub>P<sub>9</sub>Re<sub>3</sub>
-|molecularMass=2529.4003679403
+|molecularMass=2958.247606338
 |synonyms=
 |hasVendors=
-|moleculeKey=51a4897fd87047a02c58fe7e26850cd5
+|moleculeKey=c18fa81c388f076c64381c465a2ea02f
 |molOrRxn=
-   -INDIGO-04202312202D
+   -INDIGO-02262410222D
   0  0  0  0  0  0  0  0  0  0 V3000
 M  V30 BEGIN CTAB
-M  V30 COUNTS 159 183 0 0 0
+M  V30 COUNTS 180 201 0 0 0
 M  V30 BEGIN ATOM
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-M  V30 3 C 6.32699 -3.45943 0.0 0
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-M  V30 9 C 7.92501 -9.10014 0.0 0
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-M  V30 24 P 12.9245 -6.00674 0.0 0
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-M  V30 25 Re 11.925 -7.575 0.0 0 CHG=1
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-M  V30 26 Re 5.95 -7.625 0.0 0 CHG=1
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-M  V30 27 Re 8.85 -2.575 0.0 0 CHG=1
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-M  V30 28 C 10.925 -7.575 0.0 0
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-M  V30 29 C 11.425 -6.70897 0.0 0
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-M  V30 30 C 8.35 -3.44103 0.0 0
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-M  V30 31 C 9.35 -3.44103 0.0 0
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-M  V30 32 C 6.95 -7.625 0.0 0
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-M  V30 33 C 6.45 -6.75897 0.0 0
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-M  V30 34 O 6.95 -5.89295 0.0 0
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-M  V30 35 O 7.95 -7.625 0.0 0
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-M  V30 39 O 9.85 -4.30705 0.0 0
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-M  V30 157 R# 17.6106 -7.0952 0.0 0 RGROUPS=(1 2)
+M  V30 157 R# 17.2895 -7.07069 0.0 0 RGROUPS=(1 2)
-M  V30 158 R# 5.26398 1.73571 0.0 0 RGROUPS=(1 2)
+M  V30 158 R# 6.3044 0.786395 0.0 0 RGROUPS=(1 2)
-M  V30 159 R# 12.2628 1.739 0.0 0 RGROUPS=(1 2)
+M  V30 159 R# 12.5314 0.789322 0.0 0 RGROUPS=(1 2)
+M  V30 160 P 16.625 -2.225 0.0 0 CHG=-1
+M  V30 161 F 16.125 -1.35897 0.0 0
+M  V30 162 F 16.125 -3.09103 0.0 0
+M  V30 163 F 17.625 -2.225 0.0 0
+M  V30 164 F 17.125 -1.35897 0.0 0
+M  V30 165 F 17.125 -3.09103 0.0 0
+M  V30 166 F 15.625 -2.225 0.0 0
+M  V30 167 P 2.775 -2.375 0.0 0 CHG=-1
+M  V30 168 F 2.275 -1.50897 0.0 0
+M  V30 169 F 2.275 -3.24103 0.0 0
+M  V30 170 F 3.775 -2.375 0.0 0
+M  V30 171 F 3.275 -1.50897 0.0 0
+M  V30 172 F 3.275 -3.24103 0.0 0
+M  V30 173 F 1.775 -2.375 0.0 0
+M  V30 174 P 9.55 -13.35 0.0 0 CHG=-1
+M  V30 175 F 9.05 -12.484 0.0 0
+M  V30 176 F 9.05 -14.216 0.0 0
+M  V30 177 F 10.55 -13.35 0.0 0
+M  V30 178 F 10.05 -12.484 0.0 0
+M  V30 179 F 10.05 -14.216 0.0 0
+M  V30 180 F 8.55 -13.35 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 358: / Line 379: @@
 M  V30 182 1 128 158
 M  V30 183 1 135 159
+M  V30 184 1 160 161
+M  V30 185 1 160 162
+M  V30 186 1 160 163
+M  V30 187 1 160 164
+M  V30 188 1 160 165
+M  V30 189 1 160 166
+M  V30 190 1 167 168
+M  V30 191 1 167 169
+M  V30 192 1 167 170
+M  V30 193 1 167 171
+M  V30 194 1 167 172
+M  V30 195 1 167 173
+M  V30 196 1 174 175
+M  V30 197 1 174 176
+M  V30 198 1 174 177
+M  V30 199 1 174 178
+M  V30 200 1 174 179
+M  V30 201 1 174 180
 M  V30 END BOND
 M  V30 END CTAB
 M  END
+|smiles=C1C=C2P(C3C=CC=CC=3)(C3C=CC=CC=3)~[Re+]3(N4=C(C5N3=CC([*])=C([*])C=5)C=C([*])C([*])=C4)([C-]#[O+])([C-]#[O+])~P(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC(P(C4C=CC=CC=4)(C4C=CC=CC=4)~[Re+]4(N5=C(C6N4=CC([*])=C([*])C=6)C=C([*])C([*])=C5)([C-]#[O+])([C-]#[O+])~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC(P(C5C=CC=CC=5)(C5C=CC=CC=5)~[Re+]5(N6=CC([*])=C([*])C=C6C6C=C([*])C([*])=CN=65)([C-]#[O+])([C-]#[O+])~P(C5C=CC=CC=5)(C5C=CC=CC=5)C=1C=C2)=CC=4)=CC=3.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F
-|smiles=C1C=C2P(C3C=CC=CC=3)(C3C=CC=CC=3)~[Re+]3(N4=C(C5N3=CC([*])=C([*])C=5)C=C([*])C([*])=C4)(C#O)(C#O)~P(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC(P(C4C=CC=CC=4)(C4C=CC=CC=4)~[Re+]4(N5=C(C6N4=CC([*])=C([*])C=6)C=C([*])C([*])=C5)(C#O)(C#O)~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC(P(C5C=CC=CC=5)(C5C=CC=CC=5)~[Re+]5(N6=CC([*])=C([*])C=C6C6C=C([*])C([*])=CN=65)(C#O)(C#O)~P(C5C=CC=CC=5)(C5C=CC=CC=5)C=1C=C2)=CC=4)=CC=3
 |inchi=
-|inchikey=51a4897fd87047a02c58fe7e26850cd5
+|inchikey=c18fa81c388f076c64381c465a2ea02f
-|width=300px
+|width=200
-|height=51a4897fd87047a02c58fe7e26850cd5
+|height=200
 |float=none
 |parent=
 }}
-==R-Groups==
-{{#showMoleculeCollection: }}

Molecule:100730: Difference between revisions

Latest revision as of 20:18, 26 April 2024

R-Groups[edit source]

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