Molecule:100947: Difference between revisions

From ChemWiki
molecule
← Older edit
VisualWikitext
auto-generated
Tag: Reverted
auto-generated
Tag: Manual revert
 
Line 6: Line 6:
|synonyms=
|synonyms=
|hasVendors=
|hasVendors=
|moleculeKey=LMRSZYQWVOHHQK-UHFFFAOYSA-L
|moleculeKey=VCSOHGDMTDAXCJ-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 51 60 0 0 0
M  V30 COUNTS 49 60 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=2
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 13.175 -4.675 0.0 0 CHG=-1
M  V30 51 Cl 13.175 -5.475 0.0 0 CHG=-1
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
Line 131: Line 129:
M  END
M  END


|smiles=c1cc[n]2~[Fe+2]34(~[n]5ccccc5-c5[n]~3c(cc(-c3ccccc3)c5)-c3cccc[n]3~4)3~[n]4ccccc4-c4cc(-c5ccccc5)cc([n]4~3)-c2c1.[Cl-].[Cl-]
|smiles=c1ccc(-c2cc3n4~[Fe]56(~n7ccccc7-3)(~n3ccccc3-c4c2)~n2ccccc2-c2cc(-c3ccccc3)cc(n~52)-c2ccccn~62)cc1
|inchi=1S/2C21H15N3.2ClH.Fe/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
|inchi=InChI=1S/2C21H15N3.Fe/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;/h2*1-15H;
|inchikey=LMRSZYQWVOHHQK-UHFFFAOYSA-L
|inchikey=VCSOHGDMTDAXCJ-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 674.18813246
Molecular formula C42H30FeN6
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

100947


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


Belongs to molecule collection: Molecule collection 100946 ‎

Molecule is used on following pages

publication
investigation

Molecule roles

Investigation type Catalyst
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments
Absorption Emission Spectroscopy experiments
Ultraviolett Visuell experiments
Retrieved from "https://chemwiki.scc.kit.edu/main/mediawiki/index.php?title=Molecule:100947&oldid=9018"
Powered by MediaWiki
Powered by Semantic MediaWiki