Molecule:100948: Difference between revisions

From ChemWiki
molecule
(auto-generated)
Tag: Reverted
(auto-generated)
Tag: Manual revert
 
Line 6: Line 6:
|synonyms=
|synonyms=
|hasVendors=
|hasVendors=
|moleculeKey=ZTTZZWAWKFXODG-UHFFFAOYSA-M
|moleculeKey=GNLSTNFUDXOKCD-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
  -INDIGO-01102515122D
    RDKit          2D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 BEGIN CTAB
M  V30 COUNTS 52 62 0 0 0
M  V30 COUNTS 51 62 0 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 C 5.63485 -4.15007 0.0 0
M  V30 1 C 5.63485 -4.15007 0 0
M  V30 2 C 7.36515 -4.14959 0.0 0
M  V30 2 C 7.36515 -4.14959 0 0
M  V30 3 C 6.50164 -3.64997 0.0 0
M  V30 3 C 6.50164 -3.64997 0 0
M  V30 4 N 7.36515 -5.15053 0.0 0
M  V30 4 N 7.36515 -5.15053 0 0
M  V30 5 C 5.63485 -5.15502 0.0 0
M  V30 5 C 5.63485 -5.15502 0 0
M  V30 6 C 6.50382 -5.65003 0.0 0
M  V30 6 C 6.50382 -5.65003 0 0
M  V30 7 C 8.23141 -3.64999 0.0 0
M  V30 7 C 8.23141 -3.64999 0 0
M  V30 8 C 9.09513 -2.15069 0.0 0
M  V30 8 C 9.09513 -2.15069 0 0
M  V30 9 C 8.23103 -2.64928 0.0 0
M  V30 9 C 8.23103 -2.64928 0 0
M  V30 10 C 9.96231 -2.65058 0.0 0
M  V30 10 C 9.96231 -2.65058 0 0
M  V30 11 N 9.10205 -4.15188 0.0 0
M  V30 11 N 9.10205 -4.15188 0 0
M  V30 12 C 9.9649 -3.64626 0.0 0
M  V30 12 C 9.9649 -3.64626 0 0
M  V30 13 C 10.8332 -4.14233 0.0 0
M  V30 13 C 10.8332 -4.14233 0 0
M  V30 14 C 12.5635 -4.14069 0.0 0
M  V30 14 C 12.5635 -4.14069 0 0
M  V30 15 C 11.6996 -3.64164 0.0 0
M  V30 15 C 11.6996 -3.64164 0 0
M  V30 16 C 12.5641 -5.14163 0.0 0
M  V30 16 C 12.5641 -5.14163 0 0
M  V30 17 N 10.8338 -5.14728 0.0 0
M  V30 17 N 10.8338 -5.14728 0 0
M  V30 18 C 11.7032 -5.64171 0.0 0
M  V30 18 C 11.7032 -5.64171 0 0
M  V30 19 Fe 9.125 -5.95 0.0 0 CHG=1
M  V30 19 Fe 9.125 -5.95 0 0
M  V30 20 C 5.70985 -6.65007 0.0 0
M  V30 20 C 5.70985 -6.65007 0 0
M  V30 21 N 7.44015 -6.64959 0.0 0
M  V30 21 N 7.44015 -6.64959 0 0
M  V30 22 C 6.57664 -6.14997 0.0 0
M  V30 22 C 6.57664 -6.14997 0 0
M  V30 23 C 7.44015 -7.65053 0.0 0
M  V30 23 C 7.44015 -7.65053 0 0
M  V30 24 C 5.70985 -7.65502 0.0 0
M  V30 24 C 5.70985 -7.65502 0 0
M  V30 25 C 6.57882 -8.15003 0.0 0
M  V30 25 C 6.57882 -8.15003 0 0
M  V30 26 C 8.30666 -8.1497 0.0 0
M  V30 26 C 8.30666 -8.1497 0 0
M  V30 27 C 10.037 -8.14805 0.0 0
M  V30 27 C 10.037 -8.14805 0 0
M  V30 28 N 9.17311 -7.64901 0.0 0
M  V30 28 N 9.17311 -7.64901 0 0
M  V30 29 C 10.0376 -9.149 0.0 0
M  V30 29 C 10.0376 -9.149 0 0
M  V30 30 C 8.30733 -9.15464 0.0 0
M  V30 30 C 8.30733 -9.15464 0 0
M  V30 31 C 9.17663 -9.64907 0.0 0
M  V30 31 C 9.17663 -9.64907 0 0
M  V30 32 C 10.9029 -7.64788 0.0 0
M  V30 32 C 10.9029 -7.64788 0 0
M  V30 33 C 11.7666 -6.14857 0.0 0
M  V30 33 C 11.7666 -6.14857 0 0
M  V30 34 N 10.9025 -6.64716 0.0 0
M  V30 34 N 10.9025 -6.64716 0 0
M  V30 35 C 12.6338 -6.64846 0.0 0
M  V30 35 C 12.6338 -6.64846 0 0
M  V30 36 C 11.7735 -8.14977 0.0 0
M  V30 36 C 11.7735 -8.14977 0 0
M  V30 37 C 12.6364 -7.64414 0.0 0
M  V30 37 C 12.6364 -7.64414 0 0
M  V30 38 C 9.09493 -1.15069 0.0 0
M  V30 38 C 9.09493 -1.15069 0 0
M  V30 39 C 9.18116 -10.6491 0.0 0
M  V30 39 C 9.18116 -10.6491 0 0
M  V30 40 C 10.0477 -12.1467 0.0 0
M  V30 40 C 10.0477 -12.1467 0 0
M  V30 41 C 10.048 -11.1491 0.0 0
M  V30 41 C 10.048 -11.1491 0 0
M  V30 42 C 9.18123 -12.6478 0.0 0
M  V30 42 C 9.18123 -12.6478 0 0
M  V30 43 C 8.31119 -11.1521 0.0 0
M  V30 43 C 8.31119 -11.1521 0 0
M  V30 44 C 8.31765 -12.1522 0.0 0
M  V30 44 C 8.31765 -12.1522 0 0
M  V30 45 C 8.22835 0.346977 0.0 0
M  V30 45 C 8.22835 0.346977 0 0
M  V30 46 C 8.22809 -0.650659 0.0 0
M  V30 46 C 8.22809 -0.650659 0 0
M  V30 47 C 9.09486 0.848029 0.0 0
M  V30 47 C 9.09486 0.848029 0 0
M  V30 48 C 9.9649 -0.647629 0.0 0
M  V30 48 C 9.9649 -0.647629 0 0
M  V30 49 C 9.95844 0.352425 0.0 0
M  V30 49 C 9.95844 0.352425 0 0
M  V30 50 Cl 9.09323 1.84803 0.0 0
M  V30 50 Cl 9.09323 1.84803 0 0
M  V30 51 Cl 9.18286 -13.6478 0.0 0
M  V30 51 Cl 9.18286 -13.6478 0 0
M  V30 52 Cl 13.375 -4.65 0.0 0 CHG=-1
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
Line 134: Line 133:
M  END
M  END


|smiles=c1cc[n]2~[Fe+]34(~[n]5ccccc5-c5[n]~3c(cc(-c3ccc(Cl)cc3)c5)-c3cccc[n]3~4)3~[n]4ccccc4-c4cc(-c5ccc(Cl)cc5)cc([n]4~3)-c2c1.[Cl-]
|smiles=Clc1ccc(-c2cc3n4~[Fe]56(~n7ccccc7-3)(~n3ccccc3-c4c2)~n2ccccc2-c2cc(-c3ccc(Cl)cc3)cc(n~52)-c2ccccn~62)cc1
|inchi=1S/2C21H14ClN3.ClH.Fe/c2*22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19;;/h2*1-14H;1H;/q;;;+1/p-1
|inchi=InChI=1S/2C21H14ClN3.Fe/c2*22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19;/h2*1-14H;
|inchikey=ZTTZZWAWKFXODG-UHFFFAOYSA-M
|inchikey=GNLSTNFUDXOKCD-UHFFFAOYSA-N
|width=200
|width=200
|height=200
|height=200

Latest revision as of 15:14, 10 January 2025

‎

Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation n/a
Trivialname n/a
Exact mass 742.110187756
Molecular formula C42H28Cl2FeN6
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

100948


Click here to copy MOL-file.
Click here to show SMILES and InChI.

Belongs to molecule collection: Molecule collection 100946 ‎

The molecule template was defined here: Water-Assisted Highly Efficient Photocatalytic Reduction of CO2 to CO with Noble Metal-Free Bis(terpyridine)iron(II) Complexes and an Organic Photosensitizer

Molecule is used on following pages

publication
investigation

Molecule roles

Investigation type Catalyst
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments
Absorption Emission Spectroscopy experiments
Retrieved from "https://chemwiki.scc.kit.edu/main/mediawiki/index.php?title=Molecule:100948&oldid=9019"
Powered by MediaWiki
Powered by Semantic MediaWiki