Molecule:100772: Difference between revisions

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molecule
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(auto-generated)
Tag: Manual revert
 
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|trivialname=
|trivialname=
|abbrev=
|abbrev=
|molecularFormula=C<sub>31</sub>H<sub>24</sub>*<sub>2</sub>Cl<sub>2</sub>N<sub>3</sub>O<sub>2</sub>P<sub>2</sub>Ru
|molecularFormula=
|molecularMass=703.976429928
|molecularMass=
|synonyms=
|synonyms=
|hasVendors=
|hasVendors=
|moleculeKey=C1C2N([*])P([Ru+]3(P(C4C=CC=CC=4)(C4C=CC=CC=4)N([*])C(N=23)=CC=1)(~Cl)([C-]#[O+])[C-]#[O+])(C1C=CC=CC=1)C1C=CC=CC=1.[Cl-]r1
|moleculeKey=C1C2N([*])P(C3C=CC=CC=3)(C3C=CC=CC=3)[Ru+]([C-]#[O+])([C-]#[O+])3P(C4C=CC=CC=4)(C4C=CC=CC=4)N([*])C(N=23)=CC=1.[Cl-]r1
|molOrRxn=
|molOrRxn=
   -INDIGO-07122316072D
   -INDIGO-01112413302D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 BEGIN CTAB
M  V30 COUNTS 43 48 4 0 0
M  V30 COUNTS 42 47 0 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 C 7.95985 -2.27507 0.0 0
M  V30 1 Cl 10.925 -1.975 0.0 0 CHG=-1
M  V30 2 C 9.69015 -2.27459 0.0 0
M  V30 2 C 7.95985 -2.27507 0.0 0
M  V30 3 C 8.82664 -1.77497 0.0 0
M  V30 3 C 9.69015 -2.27459 0.0 0
M  V30 4 C 9.69015 -3.27553 0.0 0
M  V30 4 C 8.82664 -1.77497 0.0 0
M  V30 5 C 7.95985 -3.28002 0.0 0
M  V30 5 C 9.69015 -3.27553 0.0 0
M  V30 6 N 8.82882 -3.77503 0.0 0
M  V30 6 C 7.95985 -3.28002 0.0 0
M  V30 7 N 7.09528 -3.78253 0.0 0
M  V30 7 N 8.82882 -3.77503 0.0 0
M  V30 8 N 10.5567 -3.7747 0.0 0
M  V30 8 N 7.09528 -3.78253 0.0 0
M  V30 9 P 7.09528 -4.78253 0.0 0
M  V30 9 N 10.5567 -3.7747 0.0 0
M  V30 10 P 10.5567 -4.7747 0.0 0
M  V30 10 P 7.09528 -4.78253 0.0 0
M  V30 11 R# 11.4227 -3.2747 0.0 0 RGROUPS=(1 1)
M  V30 11 P 10.5567 -4.7747 0.0 0
M  V30 12 R# 6.22925 -3.28253 0.0 0 RGROUPS=(1 1)
M  V30 12 R# 11.4227 -3.2747 0.0 0 RGROUPS=(1 1)
M  V30 13 C 6.09528 -4.78253 0.0 0
M  V30 13 R# 6.22925 -3.28253 0.0 0 RGROUPS=(1 1)
M  V30 14 C 6.38817 -5.48963 0.0 0
M  V30 14 Ru 8.825 -4.85 0.0 0 CHG=1
M  V30 15 C 11.2638 -5.48181 0.0 0
M  V30 15 C 11.5226 -4.51588 0.0 0
M  V30 16 C 11.5567 -4.7747 0.0 0
M  V30 16 C 6.12935 -4.52371 0.0 0
M  V30 17 Ru 8.825 -4.85 0.0 0 CHG=1
M  V30 17 C 12.745 -3.29121 0.0 0
M  V30 18 C 8.325 -5.71603 0.0 0 CHG=-1
M  V30 18 C 11.7813 -3.54917 0.0 0
M  V30 19 C 9.325 -5.71603 0.0 0 CHG=-1
M  V30 19 C 13.4532 -3.99851 0.0 0
M  V30 20 Cl 9.53211 -4.14289 0.0 0
M  V30 20 C 12.2337 -5.22601 0.0 0
M  V30 21 O 7.7 -6.69103 0.0 0 CHG=1
M  V30 21 C 13.198 -4.96093 0.0 0
M  V30 22 O 10.025 -6.69103 0.0 0 CHG=1
M  V30 22 C 4.45844 -4.97313 0.0 0
M  V30 23 C 12.231 -5.22465 0.0 0
M  V30 23 C 5.42201 -5.23159 0.0 0
M  V30 24 C 12.9351 -5.92876 0.0 0
M  V30 24 C 4.19873 -4.00647 0.0 0
M  V30 25 C 12.6799 -6.89577 0.0 0
M  V30 25 C 5.8686 -3.55318 0.0 0
M  V30 26 C 11.7088 -7.15396 0.0 0
M  V30 26 C 4.90095 -3.30059 0.0 0
M  V30 27 C 11.0028 -6.44474 0.0 0
M  V30 27 C 6.59528 -5.64856 0.0 0
M  V30 28 C 12.0588 -3.9089 0.0 0
M  V30 28 C 6.59693 -7.37886 0.0 0
M  V30 29 C 13.0545 -3.90893 0.0 0
M  V30 29 C 7.09597 -6.51501 0.0 0
M  V30 30 C 13.5579 -4.77313 0.0 0
M  V30 30 C 5.59598 -7.37953 0.0 0
M  V30 31 C 13.0538 -5.64238 0.0 0
M  V30 31 C 5.59033 -5.64923 0.0 0
M  V30 32 C 12.053 -5.64015 0.0 0
M  V30 32 C 5.0959 -6.51853 0.0 0
M  V30 33 C 5.59316 -5.64832 0.0 0
M  V30 33 C 11.0567 -5.64073 0.0 0
M  V30 34 C 4.59742 -5.6483 0.0 0
M  V30 34 C 12.556 -6.50445 0.0 0
M  V30 35 C 4.09405 -4.78409 0.0 0
M  V30 35 C 12.0574 -5.64034 0.0 0
M  V30 36 C 4.59818 -3.91484 0.0 0
M  V30 36 C 12.0561 -7.37163 0.0 0
M  V30 37 C 5.59893 -3.91708 0.0 0
M  V30 37 C 10.5548 -6.51137 0.0 0
M  V30 38 C 6.64533 -6.4569 0.0 0
M  V30 38 C 11.0604 -7.37421 0.0 0
M  V30 39 C 5.94122 -7.16097 0.0 0
M  V30 39 C 8.225 -5.96603 0.0 0 CHG=-1
M  V30 40 C 4.9742 -6.90582 0.0 0
M  V30 40 C 9.45 -5.96603 0.0 0 CHG=-1
M  V30 41 C 4.71601 -5.9347 0.0 0
M  V30 41 O 7.725 -6.83205 0.0 0 CHG=1
M  V30 42 C 5.42523 -5.22864 0.0 0
M  V30 42 O 9.95 -6.83205 0.0 0 CHG=1
M  V30 43 Cl 12.15 -2.15 0.0 0 CHG=-1
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
M  V30 1 2 3 1
M  V30 1 2 4 2
M  V30 2 2 4 2
M  V30 2 2 5 3
M  V30 3 1 1 5
M  V30 3 1 2 6
M  V30 4 1 2 3
M  V30 4 1 3 4
M  V30 5 2 5 6
M  V30 5 2 6 7
M  V30 6 1 6 4
M  V30 6 1 7 5
M  V30 7 1 5 7
M  V30 7 1 6 8
M  V30 8 1 4 8
M  V30 8 1 5 9
M  V30 9 1 7 9
M  V30 9 1 8 10
M  V30 10 1 8 10
M  V30 10 1 9 11
M  V30 11 1 8 11
M  V30 11 1 9 12
M  V30 12 1 7 12
M  V30 12 1 8 13
M  V30 13 1 9 13
M  V30 13 10 10 14
M  V30 14 1 9 14
M  V30 14 10 7 14
M  V30 15 1 10 15
M  V30 15 10 11 14
M  V30 16 1 10 16
M  V30 16 1 11 15
M  V30 17 10 17 18
M  V30 17 1 10 16
M  V30 18 10 17 19
M  V30 18 2 18 15
M  V30 19 8 17 20
M  V30 19 2 19 17
M  V30 20 3 18 21
M  V30 20 1 15 20
M  V30 21 3 19 22
M  V30 21 1 17 18
M  V30 22 10 9 17
M  V30 22 2 20 21
M  V30 23 10 6 17
M  V30 23 1 21 19
M  V30 24 10 10 17
M  V30 24 2 23 16
M  V30 25 2 23 15
M  V30 25 2 24 22
M  V30 26 1 24 23
M  V30 26 1 16 25
M  V30 27 2 25 24
M  V30 27 1 22 23
M  V30 28 1 26 25
M  V30 28 2 25 26
M  V30 29 2 27 26
M  V30 29 1 26 24
M  V30 30 1 15 27
M  V30 30 1 10 27
M  V30 31 2 28 16
M  V30 31 2 29 27
M  V30 32 1 29 28
M  V30 32 2 30 28
M  V30 33 2 30 29
M  V30 33 1 27 31
M  V30 34 1 31 30
M  V30 34 1 28 29
M  V30 35 2 32 31
M  V30 35 2 31 32
M  V30 36 1 16 32
M  V30 36 1 32 30
M  V30 37 2 33 13
M  V30 37 1 11 33
M  V30 38 1 34 33
M  V30 38 2 35 33
M  V30 39 2 35 34
M  V30 39 2 36 34
M  V30 40 1 36 35
M  V30 40 1 33 37
M  V30 41 2 37 36
M  V30 41 1 34 35
M  V30 42 1 13 37
M  V30 42 2 37 38
M  V30 43 2 38 14
M  V30 43 1 38 36
M  V30 44 1 39 38
M  V30 44 10 14 39
M  V30 45 2 40 39
M  V30 45 10 14 40
M  V30 46 1 41 40
M  V30 46 3 39 41
M  V30 47 2 42 41
M  V30 47 3 40 42
M  V30 48 1 14 42
M  V30 END BOND
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(6 15 23 24 25 26 27) BRKXYZ=(9 0.000000 0.000000 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M  V30 0.000000) LABEL=Ph
M  V30 2 SUP 2 ATOMS=(6 16 28 29 30 31 32) BRKXYZ=(9 0.000000 0.000000 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M  V30 0.000000) LABEL=Ph
M  V30 3 SUP 3 ATOMS=(6 13 33 34 35 36 37) BRKXYZ=(9 0.000000 0.000000 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M  V30 0.000000) LABEL=Ph
M  V30 4 SUP 4 ATOMS=(6 14 38 39 40 41 42) BRKXYZ=(9 0.000000 0.000000 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M  V30 0.000000) LABEL=Ph
M  V30 END SGROUP
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=C1C2N([*])P([Ru+]3(P(C4C=CC=CC=4)(C4C=CC=CC=4)N([*])C(N=23)=CC=1)(~Cl)([C-]#[O+])[C-]#[O+])(C1C=CC=CC=1)C1C=CC=CC=1.[Cl-]
|smiles=C1C2N([*])P(C3C=CC=CC=3)(C3C=CC=CC=3)[Ru+]([C-]#[O+])([C-]#[O+])3P(C4C=CC=CC=4)(C4C=CC=CC=4)N([*])C(N=23)=CC=1.[Cl-]
|inchi=
|inchi=
|inchikey=C1C2N([*])P([Ru+]3(P(C4C=CC=CC=4)(C4C=CC=CC=4)N([*])C(N=23)=CC=1)(~Cl)([C-]#[O+])[C-]#[O+])(C1C=CC=CC=1)C1C=CC=CC=1.[Cl-]r1
|inchikey=C1C2N([*])P(C3C=CC=CC=3)(C3C=CC=CC=3)[Ru+]([C-]#[O+])([C-]#[O+])3P(C4C=CC=CC=4)(C4C=CC=CC=4)N([*])C(N=23)=CC=1.[Cl-]r1
|width=300px
|width=200
|height=200px
|height=200
|float=none
|float=none
|parent=
|parent=
}}
}}
==R-Groups==
{{#showMoleculeCollection: }}

Latest revision as of 10:38, 11 April 2024

‎


100772

Click here to show SMILES and Molecule-Key.


R-Groups[edit source]

No molecules found.

‎

Molecule is used on following pages

publication

Molecule roles

Investigation type
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments
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