Molecule:100945: Difference between revisions
From ChemWiki
molecule
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|synonyms= | |synonyms= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey= | |moleculeKey=BIZSTNKZWFMLKY-UHFFFAOYSA-L | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-01102515112D | ||
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 | M V30 COUNTS 71 82 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 Co 10.25 -5.675 0.0 0 | M V30 1 Co 10.25 -5.675 0.0 0 CHG=2 | ||
M V30 2 C 9.38485 -10.4751 0.0 0 | M V30 2 C 9.38485 -10.4751 0.0 0 | ||
M V30 3 C 11.0902 -10.4746 0.0 0 | M V30 3 C 11.0902 -10.4746 0.0 0 | ||
| Line 75: | Line 75: | ||
M V30 60 C 4.96306 -5.45448 0.0 0 | M V30 60 C 4.96306 -5.45448 0.0 0 | ||
M V30 61 C 4.0933 -3.95891 0.0 0 | M V30 61 C 4.0933 -3.95891 0.0 0 | ||
M V30 62 Cl 17.95 -1.975 0.0 0 | |||
M V30 63 O 17.95 -0.975 0.0 0 | |||
M V30 64 O 18.9159 -2.23382 0.0 0 | |||
M V30 65 O 17.6912 -2.94093 0.0 0 CHG=-1 | |||
M V30 66 O 16.9841 -2.23382 0.0 0 | |||
M V30 67 Cl 18.125 -4.51704 0.0 0 | |||
M V30 68 O 18.125 -3.51704 0.0 0 | |||
M V30 69 O 19.0909 -4.77586 0.0 0 | |||
M V30 70 O 17.8662 -5.48296 0.0 0 CHG=-1 | |||
M V30 71 O 17.1591 -4.77586 0.0 0 | |||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 151: | Line 161: | ||
M V30 73 8 1 16 | M V30 73 8 1 16 | ||
M V30 74 8 1 4 | M V30 74 8 1 4 | ||
M V30 75 2 62 63 | |||
M V30 76 2 62 64 | |||
M V30 77 1 62 65 | |||
M V30 78 2 62 66 | |||
M V30 79 2 67 68 | |||
M V30 80 2 67 69 | |||
M V30 81 1 67 70 | |||
M V30 82 2 67 71 | |||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=[Co]12(~N3C(CN4C=C(C5C=CC=CC=5)N=N4~1)=CC=CC=3CN1N~2=NC(C2C=CC=CC=2)=C1)12~N3N(C=C(C4C=CC=CC=4)N=3)CC3C=CC=C(CN4C=C(C5C=CC=CC=5)N=N4~1)N=3~2 | |||
|inchi=1S/2C23H19N7.Co/c2*1-3-8-18(9-4-1)22-16-29(27-25-22)14-20-12-7-13-21(24-20)15-30-17-23(26-28-30)19-10-5-2-6-11-19;/h2*1-13,16-17H,14-15H2; | |smiles=[Co+2]12(~N3C(CN4C=C(C5C=CC=CC=5)N=N4~1)=CC=CC=3CN1N~2=NC(C2C=CC=CC=2)=C1)12~N3N(C=C(C4C=CC=CC=4)N=3)CC3C=CC=C(CN4C=C(C5C=CC=CC=5)N=N4~1)N=3~2.Cl(=O)([O-])(=O)=O.Cl(=O)([O-])(=O)=O | ||
|inchikey= | |inchi=1S/2C23H19N7.2ClHO4.Co/c2*1-3-8-18(9-4-1)22-16-29(27-25-22)14-20-12-7-13-21(24-20)15-30-17-23(26-28-30)19-10-5-2-6-11-19;2*2-1(3,4)5;/h2*1-13,16-17H,14-15H2;2*(H,2,3,4,5);/q;;;;+2/p-2 | ||
|inchikey=BIZSTNKZWFMLKY-UHFFFAOYSA-L | |||
|width=300px | |width=300px | ||
|height=200px | |height=200px | ||
Revision as of 15:12, 10 January 2025
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 845.273582216 |
| Molecular formula | C46H38CoN14 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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Molecule is used on following pages
publication
investigation
Molecule roles
| Investigation type | Catalyst |
|---|---|
| Photocatalytic CO2 conversion experiments |
|
| Cyclic Voltammetry experiments |  |
| Absorption Emission Spectroscopy experiments | |
