Molecule:100486: Difference between revisions

InChI	1S/3C10H8N2.Ru/c31-3-7-11-9(5-1)10-6-2-4-8-12-10;/h31-8H;
InChI-Key	BZSVVCFHMVMYCR-UHFFFAOYSA-N
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

Properties
CID	3939621
CAS	n/a
IUPAC-Name	2-pyridin-2-ylpyridine;ruthenium
Abbreviation	n/a
Trivialname	tris(22'-bipyridine)ruthenium dichloride
Exact mass	570.110585
Molecular formula	n/a
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	tris(22'-bipyridine)ruthenium dichloride,cs-0082005

Revision as of 14:30, 10 November 2022

‎

Ru(bpy)3Cl2

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Click here to show SMILES and InChI.

‎

@@ Line 12: / Line 12: @@
 |moleculeKey=BZSVVCFHMVMYCR-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-07072219232D
+   -INDIGO-10312214132D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 18: / Line 18: @@
 M  V30 COUNTS 37 45 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 Ru 0.0157762 -0.0172315 0.0 0
+M  V30 1 C 7.01072 -3.66709 0.0 0
-M  V30 2 C 3.0449 1.68322 0.0 0
+M  V30 2 C 8.46567 -3.66409 0.0 0
-M  V30 3 C 2.26378 2.11245 0.0 0
+M  V30 3 C 7.77046 -3.26885 0.0 0
-M  V30 4 C 1.5015 1.6506 0.0 0
+M  V30 4 C 8.55261 -4.48498 0.0 0
-M  V30 5 N 1.52033 0.759516 0.0 0
+M  V30 5 C 6.99831 -4.48834 0.0 0
-M  V30 6 C 2.30145 0.330284 0.0 0
+M  V30 6 N 8.04613 -4.95142 0.0 0
-M  V30 7 C 3.06373 0.792137 0.0 0
+M  V30 7 C 4.53924 -4.91621 0.0 0
-M  V30 8 C 2.32028 -0.560798 0.0 0
+M  V30 8 C 6.15138 -4.95901 0.0 0
-M  V30 9 N 1.558 -1.02265 0.0 0
+M  V30 9 C 5.26668 -4.50978 0.0 0
-M  V30 10 C 1.57683 -1.91373 0.0 0
+M  V30 10 N 6.29691 -5.77504 0.0 0
-M  V30 11 C 2.35795 -2.34297 0.0 0
+M  V30 11 C 4.54321 -5.76102 0.0 0
-M  V30 12 C 3.12023 -1.88111 0.0 0
+M  V30 12 C 5.35996 -6.26299 0.0 0
-M  V30 13 C 3.1014 -0.990029 0.0 0
+M  V30 13 C 6.41084 -7.74028 0.0 0
-M  V30 14 C -3.04125 1.87668 0.0 0
+M  V30 14 C 7.98196 -8.24949 0.0 0
-M  V30 15 C -3.12023 0.988903 0.0 0
+M  V30 15 N 7.458 -7.41393 0.0 0
-M  V30 16 C -2.39088 0.476618 0.0 0
+M  V30 16 C 7.7065 -8.97042 0.0 0
-M  V30 17 N -1.58256 0.852109 0.0 0
+M  V30 17 C 6.31664 -8.77002 0.0 0
-M  V30 18 C -1.50358 1.73989 0.0 0
+M  V30 18 C 7.02114 -9.25145 0.0 0
-M  V30 19 C -2.23293 2.25217 0.0 0
+M  V30 19 C 8.64747 -8.35517 0.0 0
-M  V30 20 C -0.695254 2.11538 0.0 0
+M  V30 20 C 10.2569 -8.37475 0.0 0
-M  V30 21 N 0.0340945 1.60309 0.0 0
+M  V30 21 N 9.22788 -7.77097 0.0 0
-M  V30 22 C 0.842419 1.97858 0.0 0
+M  V30 22 C 10.172 -9.41607 0.0 0
-M  V30 23 C 0.921397 2.86636 0.0 0
+M  V30 23 C 8.73807 -9.30161 0.0 0
-M  V30 24 C 0.192049 3.37864 0.0 0
+M  V30 24 C 9.37061 -9.77608 0.0 0
-M  V30 25 C -0.616276 3.00315 0.0 0
+M  V30 25 N 10.1295 -6.17025 0.0 0
-M  V30 26 C -0.0209014 -3.37864 0.0 0
+M  V30 26 C 11.7911 -5.62804 0.0 0
-M  V30 27 C 0.756244 -2.94226 0.0 0
+M  V30 27 C 10.8612 -5.47731 0.0 0
-M  V30 28 C 0.766898 -2.05104 0.0 0
+M  V30 28 C 11.9372 -6.45321 0.0 0
-M  V30 29 N 0.000406209 -1.59621 0.0 0
+M  V30 29 C 10.423 -6.76451 0.0 0
-M  V30 30 C -0.776738 -2.03259 0.0 0
+M  V30 30 C 11.2893 -6.96356 0.0 0
-M  V30 31 C -0.787392 -2.92381 0.0 0
+M  V30 31 C 9.75728 -3.84639 0.0 0
-M  V30 32 C -1.54323 -1.57775 0.0 0
+M  V30 32 C 11.3568 -3.66502 0.0 0
-M  V30 33 N -1.53258 -0.686536 0.0 0
+M  V30 33 C 10.5774 -3.33632 0.0 0
-M  V30 34 C -2.29907 -0.2317 0.0 0
+M  V30 34 C 11.4448 -4.44688 0.0 0
-M  V30 35 C -3.07621 -0.668084 0.0 0
+M  V30 35 N 9.75639 -4.75933 0.0 0
-M  V30 36 C -3.08687 -1.5593 0.0 0
+M  V30 36 C 10.7762 -4.92966 0.0 0
-M  V30 37 C -2.32038 -2.01414 0.0 0
+M  V30 37 Ru 8.40385 -6.13482 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 2 2 3
+M  V30 1 2 3 1
-M  V30 2 1 3 4
+M  V30 2 2 4 2
-M  V30 3 2 4 5
+M  V30 3 1 1 5
-M  V30 4 1 5 6
+M  V30 4 1 2 3
-M  V30 5 2 6 7
+M  V30 5 2 5 6
-M  V30 6 1 7 2
+M  V30 6 1 6 4
-M  V30 7 1 6 8
+M  V30 7 2 9 7
-M  V30 8 2 8 9
+M  V30 8 2 10 8
-M  V30 9 1 9 10
+M  V30 9 1 7 11
-M  V30 10 2 10 11
+M  V30 10 1 8 9
-M  V30 11 1 11 12
+M  V30 11 2 11 12
-M  V30 12 2 12 13
+M  V30 12 1 12 10
-M  V30 13 1 13 8
+M  V30 13 2 15 13
-M  V30 14 2 14 15
+M  V30 14 2 16 14
-M  V30 15 1 15 16
+M  V30 15 1 13 17
-M  V30 16 2 16 17
+M  V30 16 1 14 15
-M  V30 17 1 17 18
+M  V30 17 2 17 18
-M  V30 18 2 18 19
+M  V30 18 1 18 16
-M  V30 19 1 19 14
+M  V30 19 2 21 19
-M  V30 20 1 18 20
+M  V30 20 2 22 20
-M  V30 21 2 20 21
+M  V30 21 1 19 23
-M  V30 22 1 21 22
+M  V30 22 1 20 21
-M  V30 23 2 22 23
+M  V30 23 2 23 24
-M  V30 24 1 23 24
+M  V30 24 1 24 22
-M  V30 25 2 24 25
+M  V30 25 2 27 25
-M  V30 26 1 25 20
+M  V30 26 2 28 26
-M  V30 27 8 17 1
+M  V30 27 1 25 29
-M  V30 28 8 5 1
+M  V30 28 1 26 27
-M  V30 29 8 9 1
+M  V30 29 2 29 30
-M  V30 30 8 21 1
+M  V30 30 1 30 28
-M  V30 31 2 26 27
+M  V30 31 2 33 31
-M  V30 32 1 27 28
+M  V30 32 2 34 32
-M  V30 33 2 28 29
+M  V30 33 1 31 35
-M  V30 34 1 29 30
+M  V30 34 1 32 33
-M  V30 35 2 30 31
+M  V30 35 2 35 36
-M  V30 36 1 31 26
+M  V30 36 1 36 34
-M  V30 37 1 30 32
+M  V30 37 1 8 5
-M  V30 38 2 32 33
+M  V30 38 1 14 19
-M  V30 39 1 33 34
+M  V30 39 1 27 36
-M  V30 40 2 34 35
+M  V30 40 10 10 37
-M  V30 41 1 35 36
+M  V30 41 10 6 37
-M  V30 42 2 36 37
+M  V30 42 10 37 35
-M  V30 43 1 37 32
+M  V30 43 10 25 37
-M  V30 44 8 1 29
+M  V30 44 10 21 37
-M  V30 45 8 1 33
+M  V30 45 10 15 37
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=[Ru]1(~N2C=CC=CC=2C2=CC=CC=N2~1)1(~N2C=CC=CC=2C2=CC=CC=N2~1)1~N2C=CC=CC=2C2=CC=CC=N2~1
+|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;
 |inchikey=BZSVVCFHMVMYCR-UHFFFAOYSA-N

Molecule:100486: Difference between revisions

Revision as of 14:30, 10 November 2022

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