Molecule:100878: Difference between revisions

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molecule
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(auto-generated)
 
(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>6</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>6</sub>P<sub>9</sub>Re<sub>3</sub>
|molecularMass=2619.5412185163
|molecularMass=3054.435407106
|synonyms=
|synonyms=
|hasVendors=
|hasVendors=
|moleculeKey=LOLRMPNEYKEGPF-UHFFFAOYSA-T
|moleculeKey=LKSLWZSWOWNWCR-UHFFFAOYSA-T
|molOrRxn=
|molOrRxn=
     RDKit          2D
     RDKit          2D
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   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 153 177 0 0 0
M  V30 COUNTS 174 195 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 C 15.9576 -12.4636 0 0
M  V30 148 P 16.625 -2.225 0 0 CHG=-1
M  V30 149 C 18.177 -8.61006 0 0
M  V30 149 F 16.125 -1.35897 0 0
M  V30 150 C 11.6407 2.32933 0 0
M  V30 150 F 16.125 -3.09103 0 0
M  V30 151 C 7.19379 2.32467 0 0
M  V30 151 F 17.625 -2.225 0 0
M  V30 152 C 0.822997 -8.6297 0 0
M  V30 152 F 17.125 -1.35897 0 0
M  V30 153 C 3.05051 -12.4785 0 0
M  V30 153 F 17.125 -3.09103 0 0
M  V30 154 F 15.625 -2.225 0 0
M  V30 155 P 2.775 -2.375 0 0 CHG=-1
M  V30 156 F 2.275 -1.50897 0 0
M  V30 157 F 2.275 -3.24103 0 0
M  V30 158 F 3.775 -2.375 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 C 15.9576 -12.4636 0 0
M  V30 170 C 18.177 -8.61006 0 0
M  V30 171 C 11.6407 2.32933 0 0
M  V30 172 C 7.19379 2.32467 0 0
M  V30 173 C 0.822997 -8.6297 0 0
M  V30 174 C 3.05051 -12.4785 0 0
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
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M  V30 170 10 27 128
M  V30 170 10 27 128
M  V30 171 10 27 134
M  V30 171 10 27 134
M  V30 172 1 119 148
M  V30 172 1 148 149
M  V30 173 1 113 149
M  V30 173 1 148 150
M  V30 174 1 131 150
M  V30 174 1 148 151
M  V30 175 1 125 151
M  V30 175 1 148 152
M  V30 176 1 143 152
M  V30 176 1 148 153
M  V30 177 1 137 153
M  V30 177 1 148 154
M  V30 178 1 155 156
M  V30 179 1 155 157
M  V30 180 1 155 158
M  V30 181 1 155 159
M  V30 182 1 155 160
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 1 119 169
M  V30 191 1 113 170
M  V30 192 1 131 171
M  V30 193 1 125 172
M  V30 194 1 143 173
M  V30 195 1 137 174
M  V30 END BOND
M  V30 END BOND
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END


|smiles=Cc1ccn2~[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)~n3ccc(C)cc3-c3cc(C)ccn~53)~n3ccc(C)cc3-c3cc(C)ccn~43)~n3ccc(C)cc3-c2c1
|smiles=Cc1ccn2~[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)~n3ccc(C)cc3-c3cc(C)ccn~53)~n3ccc(C)cc3-c3cc(C)ccn~43)~n3ccc(C)cc3-c2c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
|inchi=InChI=1S/3C30H24P2.3C12H12N2.6CO.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*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;6*1-2;;;/h3*1-24H;3*3-8H,1-2H3;;;;;;;;;/q;;;;;;;;;;;;3*-1/p+6
|inchi=InChI=1S/3C30H24P2.3C12H12N2.6CO.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*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;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=LOLRMPNEYKEGPF-UHFFFAOYSA-T
|inchikey=LKSLWZSWOWNWCR-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 3054.435407106
Molecular formula C132H108F18N6O6P9Re3
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

100878


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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

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publication
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