Molecule:100526: Difference between revisions
From ChemWiki
molecule
(auto-generated) |
(auto-generated) |
||
| Line 11: | Line 11: | ||
|moleculeKey=NNENGKYNKIWEEY-UHFFFAOYSA-N | |moleculeKey=NNENGKYNKIWEEY-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-10172211232D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
| Line 17: | Line 17: | ||
M V30 COUNTS 18 20 0 0 0 | M V30 COUNTS 18 20 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C | M V30 1 C 4.72465 -5.54385 0.0 0 | ||
M V30 2 C | M V30 2 C 6.4332 -5.52067 0.0 0 | ||
M V30 3 C | M V30 3 C 5.58666 -5.01952 0.0 0 | ||
M V30 4 C | M V30 4 C 6.47478 -6.45404 0.0 0 | ||
M V30 5 C | M V30 5 C 4.76711 -6.56367 0.0 0 | ||
M V30 6 C | M V30 6 C 5.67618 -7.0228 0.0 0 | ||
M V30 7 N | M V30 7 N 7.35659 -5.12504 0.0 0 | ||
M V30 8 C 7. | M V30 8 C 7.99722 -5.90863 0.0 0 | ||
M V30 9 N | M V30 9 N 7.42779 -6.75958 0.0 0 | ||
M V30 10 C | M V30 10 C 7.62163 -4.10793 0.0 0 | ||
M V30 11 C | M V30 11 C 7.75052 -7.6695 0.0 0 | ||
M V30 12 C | M V30 12 C 9.0283 -5.82857 0.0 0 | ||
M V30 13 C | M V30 13 C 10.4305 -4.81529 0.0 0 | ||
M V30 14 C | M V30 14 C 9.43716 -4.91806 0.0 0 | ||
M V30 15 C | M V30 15 C 11.0156 -5.62 0.0 0 | ||
M V30 16 C | M V30 16 C 9.61926 -6.64174 0.0 0 | ||
M V30 17 C | M V30 17 C 10.6123 -6.53557 0.0 0 | ||
M V30 18 O | M V30 18 O 9.23422 -7.52685 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
M V30 1 | M V30 1 2 3 1 | ||
M V30 2 | M V30 2 2 4 2 | ||
M V30 3 | M V30 3 1 1 5 | ||
M V30 4 | M V30 4 1 2 3 | ||
M V30 5 | M V30 5 2 5 6 | ||
M V30 6 | M V30 6 1 6 4 | ||
M V30 7 1 2 7 | M V30 7 1 2 7 | ||
M V30 8 1 7 8 | M V30 8 1 7 8 | ||
| Line 60: | Line 60: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles= | |smiles=C1C=CC2N(C)C(C3C(O)=CC=CC=3)N(C)C=2C=1 | ||
|inchi=1S/C15H16N2O/c1-16-12-8-4-5-9-13(12)17(2)15(16)11-7-3-6-10-14(11)18/h3-10,15,18H,1-2H3 | |inchi=1S/C15H16N2O/c1-16-12-8-4-5-9-13(12)17(2)15(16)11-7-3-6-10-14(11)18/h3-10,15,18H,1-2H3 | ||
|inchikey=NNENGKYNKIWEEY-UHFFFAOYSA-N | |inchikey=NNENGKYNKIWEEY-UHFFFAOYSA-N | ||
Revision as of 21:29, 2 January 2023
| Properties | |
|---|---|
| CID | 789497 |
| CAS | 3652-93-5 |
| IUPAC-Name | 2-(1,3-dimethyl-2h-benzimidazol-2-yl)phenol |
| Abbreviation | BI(OH)H |
| Trivialname | 2-(13-dimethyl-2h-benzimidazol-2-yl)phenol |
| Exact mass | 240.126263138 |
| Molecular formula | C15H16N2O |
| LogP | n/a |
| Has vendors | true |
| Molecular role | n/a |
| Synonyms | 2-(13-dimethyl-2h-benzimidazol-2-yl)phenol,2-(13-dimethyl-23-dihydro-1h-benzimidazol-2-yl)phenol,2-(13-dimethyl-23-dihydro-1h-benzodimidazol-2-yl)phenol,oprea1_393986,oprea1_806067,schembl2500446,zinc289247,stl353311,akos000542649,ab00076081-01 |
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 HCOOH
publication
investigation
- Rhenium(I) trinuclear rings as highly efficient redox photosensitizers for photocatalytic CO2 reduction/Table 2
- Photocatalytic CO2 Reduction under Visible-Light Irradiation by Ruthenium CNC Pincer Complexes/Conditions optimizations for photocatalytic reduction of CO2
other
Molecule roles
| Investigation type | Electron donor |
|---|---|
| Photocatalytic CO2 conversion experiments |
|
| Cyclic Voltammetry experiments |  |
| Absorption Emission Spectroscopy experiments | |
