Molecule:100486: Difference between revisions
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molecule
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|moleculeKey=BZSVVCFHMVMYCR-UHFFFAOYSA-N | |moleculeKey=BZSVVCFHMVMYCR-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-10312214132D | ||
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 COUNTS 37 45 0 0 0 | M V30 COUNTS 37 45 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C | M V30 1 C 7.01072 -3.66709 0.0 0 | ||
M V30 2 C | M V30 2 C 8.46567 -3.66409 0.0 0 | ||
M V30 3 C | M V30 3 C 7.77046 -3.26885 0.0 0 | ||
M V30 4 | M V30 4 C 8.55261 -4.48498 0.0 0 | ||
M V30 5 C | M V30 5 C 6.99831 -4.48834 0.0 0 | ||
M V30 6 | M V30 6 N 8.04613 -4.95142 0.0 0 | ||
M V30 7 C | M V30 7 C 4.53924 -4.91621 0.0 0 | ||
M V30 8 C | M V30 8 C 6.15138 -4.95901 0.0 0 | ||
M V30 9 C | M V30 9 C 5.26668 -4.50978 0.0 0 | ||
M V30 10 N | M V30 10 N 6.29691 -5.77504 0.0 0 | ||
M V30 11 C | M V30 11 C 4.54321 -5.76102 0.0 0 | ||
M V30 12 C | M V30 12 C 5.35996 -6.26299 0.0 0 | ||
M V30 13 C | M V30 13 C 6.41084 -7.74028 0.0 0 | ||
M V30 14 C | M V30 14 C 7.98196 -8.24949 0.0 0 | ||
M V30 15 | M V30 15 N 7.458 -7.41393 0.0 0 | ||
M V30 16 C | M V30 16 C 7.7065 -8.97042 0.0 0 | ||
M V30 17 | M V30 17 C 6.31664 -8.77002 0.0 0 | ||
M V30 18 C | M V30 18 C 7.02114 -9.25145 0.0 0 | ||
M V30 19 C 8. | M V30 19 C 8.64747 -8.35517 0.0 0 | ||
M V30 20 C 10. | M V30 20 C 10.2569 -8.37475 0.0 0 | ||
M V30 21 | M V30 21 N 9.22788 -7.77097 0.0 0 | ||
M V30 22 C 10. | M V30 22 C 10.172 -9.41607 0.0 0 | ||
M V30 23 | M V30 23 C 8.73807 -9.30161 0.0 0 | ||
M V30 24 C 9. | M V30 24 C 9.37061 -9.77608 0.0 0 | ||
M V30 25 | M V30 25 N 10.1295 -6.17025 0.0 0 | ||
M V30 26 C | M V30 26 C 11.7911 -5.62804 0.0 0 | ||
M V30 27 | M V30 27 C 10.8612 -5.47731 0.0 0 | ||
M V30 28 C | M V30 28 C 11.9372 -6.45321 0.0 0 | ||
M V30 29 C | M V30 29 C 10.423 -6.76451 0.0 0 | ||
M V30 30 C | M V30 30 C 11.2893 -6.96356 0.0 0 | ||
M V30 31 C | M V30 31 C 9.75728 -3.84639 0.0 0 | ||
M V30 32 C | M V30 32 C 11.3568 -3.66502 0.0 0 | ||
M V30 33 | M V30 33 C 10.5774 -3.33632 0.0 0 | ||
M V30 34 C | M V30 34 C 11.4448 -4.44688 0.0 0 | ||
M V30 35 | M V30 35 N 9.75639 -4.75933 0.0 0 | ||
M V30 36 C | M V30 36 C 10.7762 -4.92966 0.0 0 | ||
M V30 37 Ru | M V30 37 Ru 8.40385 -6.13482 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 91: | Line 91: | ||
M V30 35 2 35 36 | M V30 35 2 35 36 | ||
M V30 36 1 36 34 | M V30 36 1 36 34 | ||
M V30 37 1 | M V30 37 1 8 5 | ||
M V30 38 1 | M V30 38 1 14 19 | ||
M V30 39 1 | M V30 39 1 27 36 | ||
M V30 40 10 | M V30 40 10 10 37 | ||
M V30 41 10 | M V30 41 10 6 37 | ||
M V30 42 10 | M V30 42 10 37 35 | ||
M V30 43 10 | M V30 43 10 25 37 | ||
M V30 44 10 | M V30 44 10 21 37 | ||
M V30 45 10 | M V30 45 10 15 37 | ||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles= | |smiles=C1C2C3C=CC=CN=3[Ru]3(N4C(C5C=CC=CN=53)=CC=CC=4)3(N4C=CC=CC=4C4C=CC=CN=43)N=2C=CC=1 | ||
|inchi=1S/3C10H8N2.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H; | |inchi=1S/3C10H8N2.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H; | ||
|inchikey=BZSVVCFHMVMYCR-UHFFFAOYSA-N | |inchikey=BZSVVCFHMVMYCR-UHFFFAOYSA-N | ||
Revision as of 12:35, 16 February 2023
| Properties | |
|---|---|
| CID | 3939621 |
| CAS | n/a |
| IUPAC-Name | 2-pyridin-2-ylpyridine;ruthenium |
| Abbreviation | Ru(bpy)3 |
| Trivialname | tris(22'-bipyridine)ruthenium dichloride |
| Exact mass | 570.110585 |
| Molecular formula | C30H24N6Ru |
| LogP | n/a |
| Has vendors | true |
| Molecular role | n/a |
| Synonyms | tris(22'-bipyridine)ruthenium dichloride,cs-0082005 |
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