Molecule:100833: Difference between revisions
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molecule
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|trivialname=Tris-(1,10-phenanthroline)ruthenium | |trivialname=Tris-(1,10-phenanthroline)ruthenium | ||
|abbrev= | |abbrev= | ||
|moleculeKey= | |moleculeKey=YPSDIBXDQQOHBT-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-12162417552D | ||
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 57 66 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C 5.22493 -2.53485 0.0 0 | M V30 1 C 5.22493 -2.53485 0.0 0 | ||
| Line 60: | Line 60: | ||
M V30 41 N 3.91337 -6.81476 0.0 0 | M V30 41 N 3.91337 -6.81476 0.0 0 | ||
M V30 42 C 3.40341 -5.95521 0.0 0 | M V30 42 C 3.40341 -5.95521 0.0 0 | ||
M V30 43 Ru 6.15 -6.475 0.0 0 | M V30 43 Ru 6.15 -6.475 0.0 0 CHG=2 | ||
M V30 44 P 13.325 -4.05 0.0 0 | |||
M V30 45 F 12.325 -4.05 0.0 0 | |||
M V30 46 F 13.825 -4.91603 0.0 0 | |||
M V30 47 F 13.875 -3.15897 0.0 0 | |||
M V30 48 F 12.825 -3.18397 0.0 0 | |||
M V30 49 F 14.325 -4.05 0.0 0 | |||
M V30 50 F 12.825 -4.91603 0.0 0 | |||
M V30 51 P 13.325 -7.2624 0.0 0 | |||
M V30 52 F 12.3328 -7.2624 0.0 0 | |||
M V30 53 F 13.8211 -8.12168 0.0 0 | |||
M V30 54 F 13.8707 -6.37832 0.0 0 | |||
M V30 55 F 12.8289 -6.40312 0.0 0 | |||
M V30 56 F 14.3172 -7.2624 0.0 0 | |||
M V30 57 F 12.8289 -8.12168 0.0 0 | |||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 117: | Line 131: | ||
M V30 53 10 43 13 | M V30 53 10 43 13 | ||
M V30 54 10 43 2 | M V30 54 10 43 2 | ||
M V30 55 1 44 45 | |||
M V30 56 1 44 46 | |||
M V30 57 1 44 47 | |||
M V30 58 1 44 48 | |||
M V30 59 1 44 49 | |||
M V30 60 1 44 50 | |||
M V30 61 1 51 52 | |||
M V30 62 1 51 53 | |||
M V30 63 1 51 54 | |||
M V30 64 1 51 55 | |||
M V30 65 1 51 56 | |||
M V30 66 1 51 57 | |||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C12C=CC3C=CC=N4[Ru](N(C=1C=34)=CC=C2)1(N2C3C4N1=CC=CC=4C=CC=3C=CC=2)1N2C3C4N1=CC=CC=4C=CC=3C=CC=2 | |||
|inchi=1S/3C12H8N2.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*1-8H; | |smiles=C12C=CC3C=CC=N4[Ru+2](N(C=1C=34)=CC=C2)1(N2C3C4N1=CC=CC=4C=CC=3C=CC=2)1N2C3C4N1=CC=CC=4C=CC=3C=CC=2.P(F)(F)(F)(F)(F)F.P(F)(F)(F)(F)(F)F | ||
|inchikey= | |inchi=1S/3C12H8N2.2F6P.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;;;+2 | ||
|inchikey=YPSDIBXDQQOHBT-UHFFFAOYSA-N | |||
|width=300px | |width=300px | ||
|height=200px | |height=200px | ||
Latest revision as of 17:56, 16 December 2024
| Properties | |
|---|---|
| CID | 146725 |
| CAS | 22873-66-1 |
| IUPAC-Name | 1,10-phenanthroline;ruthenium |
| Abbreviation | n/a |
| Trivialname | Tris-(1,10-phenanthroline)ruthenium |
| Exact mass | 642.110585 |
| Molecular formula | C36H24N6Ru |
| LogP | n/a |
| Has vendors | true |
| Molecular role | n/a |
| Synonyms | Tris-(1,10-phenanthroline)ruthenium, 1,10-phenanthroline;ruthenium, Ru(Phen)3, Tris(1,10-phenanthroline)rutheniumii, DTXSID50177413, Ruthenium(2+), tris(1,10-phenanthroline-N1,N10)-, (OC-6-11)- |
Tris-(1,10-phenanthroline)ruthenium
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