Molecule:100671: Difference between revisions
From ChemWiki
molecule
(auto-generated) Tag: Reverted |
(auto-generated) Tag: Manual revert |
||
| Line 3: | Line 3: | ||
|moleculeKey=JQYRTQVHCKLBTL-YQGGSDPOSA-M | |moleculeKey=JQYRTQVHCKLBTL-YQGGSDPOSA-M | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-01262316022D | ||
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 58 | M V30 COUNTS 58 69 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 N 6.98772 -6.7701 0.0 0 | M V30 1 N 6.98772 -6.7701 0.0 0 | ||
M V30 2 C 7.80607 -7.37551 0.0 0 | M V30 2 C 7.80607 -7.37551 0.0 0 | ||
M V30 3 C 7.51066 -8.30641 0.0 0 | M V30 3 C 7.51066 -8.30641 0.0 0 | ||
| Line 18: | Line 18: | ||
M V30 8 C 7.41478 -2.56299 0.0 0 | M V30 8 C 7.41478 -2.56299 0.0 0 | ||
M V30 9 C 7.69742 -3.45888 0.0 0 | M V30 9 C 7.69742 -3.45888 0.0 0 | ||
M V30 10 N 6.89204 -4.05852 0.0 0 | M V30 10 N 6.89204 -4.05852 0.0 0 | ||
M V30 11 C 9.08699 -4.58435 0.0 0 | M V30 11 C 9.08699 -4.58435 0.0 0 | ||
M V30 12 C 10.0503 -4.7827 0.0 0 | M V30 12 C 10.0503 -4.7827 0.0 0 | ||
| Line 65: | Line 65: | ||
M V30 55 O 10.6102 -4.1505 0.0 0 | M V30 55 O 10.6102 -4.1505 0.0 0 | ||
M V30 56 O 8.15175 -1.70078 0.0 0 | M V30 56 O 8.15175 -1.70078 0.0 0 | ||
M V30 57 Fe 6.95 -5.3 0.0 0 | M V30 57 Fe 6.95 -5.3 0.0 0 | ||
M V30 58 Cl | M V30 58 Cl 7.65 -4.65 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 135: | Line 135: | ||
M V30 65 10 17 57 | M V30 65 10 17 57 | ||
M V30 66 10 15 57 | M V30 66 10 15 57 | ||
M V30 67 | M V30 67 8 10 57 | ||
M V30 68 | M V30 68 8 1 57 | ||
M V30 69 8 58 57 | |||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=N12~[Fe](~Cl)34~N5C6C(C7C(O)=CC=CC=7O)=C7C=CC(C(C8C(O)=CC=CC=8O)=C1C=CC2=C(C1C(O)=CC=CC=1O)C1=N3C(=C(C2C(O)=CC=CC=2O)C5=CC=6)C=C1)=N74 | |||
|smiles= | |||
|inchi=1S/C44H28N4O8.ClH.Fe/c49-29-5-1-6-30(50)41(29)37-21-13-15-23(45-21)38(42-31(51)7-2-8-32(42)52)25-17-19-27(47-25)40(44-35(55)11-4-12-36(44)56)28-20-18-26(48-28)39(24-16-14-22(37)46-24)43-33(53)9-3-10-34(43)54;;/h1-20H,(H8-2,45,46,47,48,49,50,51,52,53,54,55,56);1H;/q-2;;+3/p-1/b37-21+,37-22+,38-23+,38-25+,39-24+,39-26+,40-27+,40-28+;; | |inchi=1S/C44H28N4O8.ClH.Fe/c49-29-5-1-6-30(50)41(29)37-21-13-15-23(45-21)38(42-31(51)7-2-8-32(42)52)25-17-19-27(47-25)40(44-35(55)11-4-12-36(44)56)28-20-18-26(48-28)39(24-16-14-22(37)46-24)43-33(53)9-3-10-34(43)54;;/h1-20H,(H8-2,45,46,47,48,49,50,51,52,53,54,55,56);1H;/q-2;;+3/p-1/b37-21+,37-22+,38-23+,38-25+,39-24+,39-26+,40-27+,40-28+;; | ||
|inchikey=JQYRTQVHCKLBTL-YQGGSDPOSA-M | |inchikey=JQYRTQVHCKLBTL-YQGGSDPOSA-M | ||
Revision as of 16:38, 10 January 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | Fe(DHPP)Cl |
| Trivialname | n/a |
| Exact mass | 834.117979132 |
| Molecular formula | C44H31ClFeN4O8 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
Click here to copy MOL-file.
Click here to show SMILES and InChI.
Molecule is used on following pages
topic
- Photocatalytic CO2 conversion to CO
- Homogeneous photocatalytic CO2 conversion
- Photocatalytic CO2 conversion to CH4
publication
- Visible-light-driven methane formation from CO2 with a molecular iron catalyst
- Photocatalytic CO2 reduction with aminoanthraquinone organic dyes
- Promoting photocatalytic CO2 reduction with a molecular copper purpurin chromophore
- Selective and Efficient Photocatalytic CO2 Reduction to CO Using Visible Light and an Iron-Based Homogeneous Catalyst
investigation
- Visible-light-driven methane formation from CO2 with a molecular iron catalyst/Table 1
- Photocatalytic CO2 reduction with aminoanthraquinone organic dyes/Photocatalytic reduction of CO2 with different photosensitizers
- Photocatalytic CO2 reduction with aminoanthraquinone organic dyes/Photocatalytic CO2 reduction with varying concentrations of cat and PS
- Promoting photocatalytic CO2 reduction with a molecular copper purpurin chromophore/Control experiments
- Promoting photocatalytic CO2 reduction with a molecular copper purpurin chromophore/Photocatalytic CO2 reduction: best results
- Selective and Efficient Photocatalytic CO2 Reduction to CO Using Visible Light and an Iron-Based Homogeneous Catalyst/photocatalytic conversion of CO2 to CO
other
Molecule roles
| Investigation type | Catalyst |
|---|---|
| Photocatalytic CO2 conversion experiments |
|
| Cyclic Voltammetry experiments |  |
| Absorption Emission Spectroscopy experiments | |
