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	C1C=C2C3C=CC=CN=3[Ru]3(N4=C(C5N3=CC=CC=5)C=CC=C4)3(N4C=CC=CC=4C4N3=CC=CC=4)N2=CC=1

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

Revision as of 10:19, 3 May 2023

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Ru(bpy)3Cl2

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‎

@@ Line 10: / Line 10: @@
 |moleculeKey=BZSVVCFHMVMYCR-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-03242309392D
+   -INDIGO-01122313562D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 16: / Line 16: @@
 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 4.64702 -3.51052 0.0 0
-M  V30 2 C 3.0449 1.68322 0.0 0
+M  V30 2 C 6.27416 -3.77437 0.0 0
-M  V30 3 C 2.26378 2.11245 0.0 0
+M  V30 3 C 5.42497 -3.15907 0.0 0
-M  V30 4 C 1.5015 1.6506 0.0 0
+M  V30 4 N 6.06766 -4.87614 0.0 0
-M  V30 5 N 1.52033 0.759516 0.0 0
+M  V30 5 C 4.56021 -4.26388 0.0 0
-M  V30 6 C 2.30145 0.330284 0.0 0
+M  V30 6 C 5.16664 -4.90267 0.0 0
-M  V30 7 C 3.06373 0.792137 0.0 0
+M  V30 7 C 3.43886 -5.36601 0.0 0
-M  V30 8 C 2.32028 -0.560798 0.0 0
+M  V30 8 C 4.87896 -5.36529 0.0 0
-M  V30 9 N 1.558 -1.02265 0.0 0
+M  V30 9 C 4.1013 -5.0306 0.0 0
-M  V30 10 C 1.57683 -1.91373 0.0 0
+M  V30 10 N 5.15229 -6.24817 0.0 0
-M  V30 11 C 2.35795 -2.34297 0.0 0
+M  V30 11 C 3.37145 -6.21125 0.0 0
-M  V30 12 C 3.12023 -1.88111 0.0 0
+M  V30 12 C 4.24098 -6.80462 0.0 0
-M  V30 13 C 3.1014 -0.990029 0.0 0
+M  V30 13 C 7.38788 -4.27932 0.0 0
-M  V30 14 C -3.04125 1.87668 0.0 0
+M  V30 14 C 8.93207 -4.02652 0.0 0
-M  V30 15 C -3.12023 0.988903 0.0 0
+M  V30 15 C 8.18659 -3.71263 0.0 0
-M  V30 16 C -2.39088 0.476618 0.0 0
+M  V30 16 C 9.06186 -4.74405 0.0 0
-M  V30 17 N -1.58256 0.852109 0.0 0
+M  V30 17 N 7.54797 -5.23295 0.0 0
-M  V30 18 C -1.50358 1.73989 0.0 0
+M  V30 18 C 8.5593 -5.32363 0.0 0
-M  V30 19 C -2.23293 2.25217 0.0 0
+M  V30 19 C 8.94252 -5.82375 0.0 0
-M  V30 20 C -0.695254 2.11538 0.0 0
+M  V30 20 C 10.4895 -5.73777 0.0 0
-M  V30 21 N 0.0340945 1.60309 0.0 0
+M  V30 21 C 9.79869 -5.4369 0.0 0
-M  V30 22 C 0.842419 1.97858 0.0 0
+M  V30 22 C 10.5869 -6.56002 0.0 0
-M  V30 23 C 0.921397 2.86636 0.0 0
+M  V30 23 N 8.68604 -6.53412 0.0 0
-M  V30 24 C 0.192049 3.37864 0.0 0
+M  V30 24 C 9.73239 -7.1522 0.0 0
-M  V30 25 C -0.616276 3.00315 0.0 0
+M  V30 25 C 4.61702 -8.12194 0.0 0
-M  V30 26 C -0.0209014 -3.37864 0.0 0
+M  V30 26 C 6.27773 -8.41503 0.0 0
-M  V30 27 C 0.756244 -2.94226 0.0 0
+M  V30 27 N 5.75308 -7.70609 0.0 0
-M  V30 28 C 0.766898 -2.05104 0.0 0
+M  V30 28 C 6.10642 -9.29956 0.0 0
-M  V30 29 N 0.000406209 -1.59621 0.0 0
+M  V30 29 C 4.61375 -9.27183 0.0 0
-M  V30 30 C -0.776738 -2.03259 0.0 0
+M  V30 30 C 5.43421 -9.70653 0.0 0
-M  V30 31 C -0.787392 -2.92381 0.0 0
+M  V30 31 C 6.85925 -8.42236 0.0 0
-M  V30 32 C -1.54323 -1.57775 0.0 0
+M  V30 32 C 8.49494 -8.03645 0.0 0
-M  V30 33 N -1.53258 -0.686536 0.0 0
+M  V30 33 N 7.4669 -7.64965 0.0 0
-M  V30 34 C -2.29907 -0.2317 0.0 0
+M  V30 34 C 8.56326 -9.14594 0.0 0
-M  V30 35 C -3.07621 -0.668084 0.0 0
+M  V30 35 C 7.05993 -9.29907 0.0 0
-M  V30 36 C -3.08687 -1.5593 0.0 0
+M  V30 36 C 7.79269 -9.65279 0.0 0
-M  V30 37 C -2.32038 -2.01414 0.0 0
+M  V30 37 Ru 6.78229 -6.42071 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 6 8
-M  V30 38 2 32 33
+M  V30 38 1 18 19
-M  V30 39 1 33 34
+M  V30 39 1 26 31
-M  V30 40 2 34 35
+M  V30 40 10 4 37
-M  V30 41 1 35 36
+M  V30 41 10 10 37
-M  V30 42 2 36 37
+M  V30 42 10 27 37
-M  V30 43 1 37 32
+M  V30 43 10 33 37
-M  V30 44 8 1 29
+M  V30 44 10 23 37
-M  V30 45 8 1 33
+M  V30 45 10 17 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=C1C=C2C3C=CC=CN=3[Ru]3(N4=C(C5N3=CC=CC=5)C=CC=C4)3(N4C=CC=CC=4C4N3=CC=CC=4)N2=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 10:19, 3 May 2023

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