Molecule:100754: Difference between revisions
From ChemWiki
molecule
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|trivialname= | |trivialname= | ||
|abbrev= | |abbrev= | ||
|molecularFormula=C<sub>44</sub>H<sub> | |molecularFormula=C<sub>44</sub>H<sub>28</sub>N<sub>4</sub>Zn | ||
|molecularMass= | |molecularMass=676.160539096 | ||
|synonyms= | |synonyms= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey=XPVVGUHKLPZAEN-DAJBKUBHSA-N | |moleculeKey=XPVVGUHKLPZAEN-DAJBKUBHSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-05172313292D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
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M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C 5.61254 -2.65652 0.0 0 | M V30 1 C 5.61254 -2.65652 0.0 0 | ||
M V30 2 N 6.23398 -4.16313 0.0 0 | M V30 2 N 6.23398 -4.16313 0.0 0 CHG=-1 | ||
M V30 3 C 6.44809 -3.19585 0.0 0 | M V30 3 C 6.44809 -3.19585 0.0 0 | ||
M V30 4 C 5.21628 -4.18915 0.0 0 | M V30 4 C 5.21628 -4.18915 0.0 0 | ||
| Line 34: | Line 34: | ||
M V30 19 C 8.04901 -7.09996 0.0 0 | M V30 19 C 8.04901 -7.09996 0.0 0 | ||
M V30 20 C 9.27506 -6.07169 0.0 0 | M V30 20 C 9.27506 -6.07169 0.0 0 | ||
M V30 21 N 8.26216 -6.12245 0.0 0 | M V30 21 N 8.26216 -6.12245 0.0 0 CHG=-1 | ||
M V30 22 C 9.67079 -6.976 0.0 0 | M V30 22 C 9.67079 -6.976 0.0 0 | ||
M V30 23 C 8.91432 -7.63479 0.0 0 | M V30 23 C 8.91432 -7.63479 0.0 0 | ||
| Line 62: | Line 62: | ||
M V30 47 C 3.1754 -4.11278 0.0 0 | M V30 47 C 3.1754 -4.11278 0.0 0 | ||
M V30 48 C 2.17535 -4.11924 0.0 0 | M V30 48 C 2.17535 -4.11924 0.0 0 | ||
M V30 49 Zn 7.3 -5.15 0.0 0 | M V30 49 Zn 7.3 -5.15 0.0 0 CHG=2 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 122: | Line 122: | ||
M V30 56 1 48 46 | M V30 56 1 48 46 | ||
M V30 57 10 11 49 | M V30 57 10 11 49 | ||
M V30 58 | M V30 58 10 2 49 | ||
M V30 59 10 15 49 | M V30 59 10 15 49 | ||
M V30 60 | M V30 60 10 21 49 | ||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1=C2C(C3C=CC=CC=3)=C3C=CC4C(C5C=CC=CC=5)=C5C=CC6[N-]5[Zn+2]5(N7C(C=CC=7C=6C6C=CC=CC=6)=C(C6C=CC=CC=6)C(=C1)[N-]25)N3=4 | |||
|smiles=C1=C2C(C3C=CC=CC=3)=C3C=CC4C(C5C=CC=CC=5)=C5C= | |||
|inchi=1S/C44H28N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-; | |inchi=1S/C44H28N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-; | ||
|inchikey=XPVVGUHKLPZAEN-DAJBKUBHSA-N | |inchikey=XPVVGUHKLPZAEN-DAJBKUBHSA-N | ||
Revision as of 12:30, 17 May 2023
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 676.160539096 |
| Molecular formula | C44H28N4Zn |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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Molecule is used on following pages
topic
- Photocatalytic CO2 conversion to CO
- Homogeneous photocatalytic CO2 conversion
- Photocatalytic CO2 conversion to HCOOH
publication
investigation
