Molecule:100940: Difference between revisions
From ChemWiki
molecule
(auto-generated) |
(auto-generated) |
||
| (One intermediate revision by the same user not shown) | |||
| Line 2: | Line 2: | ||
|trivialname= | |trivialname= | ||
|abbrev= | |abbrev= | ||
|molecularFormula=C<sub>50</sub>H<sub>40</sub> | |molecularFormula=C<sub>50</sub>H<sub>40</sub>BCuF<sub>4</sub>N<sub>2</sub>OP<sub>2</sub> | ||
|molecularMass= | |molecularMass=896.19410294 | ||
|synonyms= | |synonyms= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey= | |moleculeKey=QVCHJOOPCKCUBW-UHFFFAOYSA-P | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-01102515052D | ||
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 61 70 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C 12.15 -4.31795 0.0 0 | M V30 1 C 12.15 -4.31795 0.0 0 | ||
| Line 30: | Line 30: | ||
M V30 15 C 11.65 -6.91603 0.0 0 | M V30 15 C 11.65 -6.91603 0.0 0 | ||
M V30 16 C 12.15 -6.05 0.0 0 | M V30 16 C 12.15 -6.05 0.0 0 | ||
M V30 17 Cu 9.575 -4.05 0.0 0 | M V30 17 Cu 9.575 -4.05 0.0 0 CHG=1 | ||
M V30 18 C 7.81136 1.15012 0.0 0 | M V30 18 C 7.81136 1.15012 0.0 0 | ||
M V30 19 C 8.67693 -0.348124 0.0 0 | M V30 19 C 8.67693 -0.348124 0.0 0 | ||
| Line 70: | Line 70: | ||
M V30 55 C 12.9808 -4.7288 0.0 0 | M V30 55 C 12.9808 -4.7288 0.0 0 | ||
M V30 56 C 13.6926 -5.43137 0.0 0 | M V30 56 C 13.6926 -5.43137 0.0 0 | ||
M V30 57 B 15.5 0.25 0.0 0 CHG=-1 | |||
M V30 58 F 15.5 1.25 0.0 0 | |||
M V30 59 F 14.659 0.125 0.0 0 | |||
M V30 60 F 16.366 -0.25 0.0 0 | |||
M V30 61 F 15.5 -0.75 0.0 0 | |||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 138: | Line 143: | ||
M V30 65 8 17 31 | M V30 65 8 17 31 | ||
M V30 66 8 17 32 | M V30 66 8 17 32 | ||
M V30 67 1 57 58 | |||
M V30 68 1 57 59 | |||
M V30 69 1 57 60 | |||
M V30 70 1 57 61 | |||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=CC1C=CC2C3=C4C(=CC=2)C=CC(C)=N4~[Cu]2(~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4=CC=CC=C4OC4C=CC=CC=4P~2(C2C=CC=CC=2)C2C=CC=CC=2)~N=13 | |smiles=CC1C=CC2C3=C4C(=CC=2)C=CC(C)=N4~[Cu+]2(~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4=CC=CC=C4OC4C=CC=CC=4P~2(C2C=CC=CC=2)C2C=CC=CC=2)~N=13.[B-](F)(F)(F)F | ||
|inchi=1S/C36H28OP2.C14H12N2.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h1-28H;3-8H,1-2H3;/q;;- | |inchi=1S/C36H28OP2.C14H12N2.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2-1(3,4)5;/h1-28H;3-8H,1-2H3;;/q;;2*-1/p+2 | ||
|inchikey= | |inchikey=QVCHJOOPCKCUBW-UHFFFAOYSA-P | ||
|width= | |width=200 | ||
|height= | |height=200 | ||
|float=none | |float=none | ||
|parent= | |parent= | ||
}} | }} | ||
Latest revision as of 15:06, 10 January 2025
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 896.19410294 |
| Molecular formula | C50H40BCuF4N2OP2 |
| 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
publication
investigation
- Photocatalytic Reduction of CO2 by Highly Efficient Homogeneous FeII Catalyst based on 2,6-Bis(1’,2’,3’-triazolyl-methyl)pyridine. Comparison with Analogues./CO2 reduction experiments testing different catalysts
- Photocatalytic Reduction of CO2 by Highly Efficient Homogeneous FeII Catalyst based on 2,6-Bis(1’,2’,3’-triazolyl-methyl)pyridine. Comparison with Analogues./Optimization of CO2 reduction conditions
Molecule roles
| Investigation type | Photosensitizer |
|---|---|
| Photocatalytic CO2 conversion experiments |
|
| Cyclic Voltammetry experiments |  |
| Absorption Emission Spectroscopy experiments | |
