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	[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

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 15:40, 3 February 2023

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Ru(bpy)3Cl2

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‎

@@ Line 10: / Line 10: @@
 |moleculeKey=BZSVVCFHMVMYCR-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-10312214132D
+   -INDIGO-01032317402D
   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 C 7.01072 -3.66709 0.0 0
+M  V30 1 Ru 7.11592 -4.29237 0.0 0
-M  V30 2 C 8.46567 -3.66409 0.0 0
+M  V30 2 C 10.145 -2.59192 0.0 0
-M  V30 3 C 7.77046 -3.26885 0.0 0
+M  V30 3 C 9.36392 -2.16269 0.0 0
-M  V30 4 C 8.55261 -4.48498 0.0 0
+M  V30 4 C 8.60164 -2.62454 0.0 0
-M  V30 5 C 6.99831 -4.48834 0.0 0
+M  V30 5 N 8.62047 -3.51563 0.0 0
-M  V30 6 N 8.04613 -4.95142 0.0 0
+M  V30 6 C 9.40159 -3.94486 0.0 0
-M  V30 7 C 4.53924 -4.91621 0.0 0
+M  V30 7 C 10.1639 -3.483 0.0 0
-M  V30 8 C 6.15138 -4.95901 0.0 0
+M  V30 8 C 9.42042 -4.83594 0.0 0
-M  V30 9 C 5.26668 -4.50978 0.0 0
+M  V30 9 N 8.65814 -5.29779 0.0 0
-M  V30 10 N 6.29691 -5.77504 0.0 0
+M  V30 10 C 8.67697 -6.18887 0.0 0
-M  V30 11 C 4.54321 -5.76102 0.0 0
+M  V30 11 C 9.45809 -6.61811 0.0 0
-M  V30 12 C 5.35996 -6.26299 0.0 0
+M  V30 12 C 10.2204 -6.15625 0.0 0
-M  V30 13 C 6.41084 -7.74028 0.0 0
+M  V30 13 C 10.2015 -5.26517 0.0 0
-M  V30 14 C 7.98196 -8.24949 0.0 0
+M  V30 14 C 4.05889 -2.39846 0.0 0
-M  V30 15 N 7.458 -7.41393 0.0 0
+M  V30 15 C 3.97991 -3.28624 0.0 0
-M  V30 16 C 7.7065 -8.97042 0.0 0
+M  V30 16 C 4.70926 -3.79852 0.0 0
-M  V30 17 C 6.31664 -8.77002 0.0 0
+M  V30 17 N 5.51758 -3.42303 0.0 0
-M  V30 18 C 7.02114 -9.25145 0.0 0
+M  V30 18 C 5.59656 -2.53525 0.0 0
-M  V30 19 C 8.64747 -8.35517 0.0 0
+M  V30 19 C 4.86721 -2.02297 0.0 0
-M  V30 20 C 10.2569 -8.37475 0.0 0
+M  V30 20 C 6.40489 -2.15976 0.0 0
-M  V30 21 N 9.22788 -7.77097 0.0 0
+M  V30 21 N 7.13424 -2.67205 0.0 0
-M  V30 22 C 10.172 -9.41607 0.0 0
+M  V30 22 C 7.94256 -2.29656 0.0 0
-M  V30 23 C 8.73807 -9.30161 0.0 0
+M  V30 23 C 8.02154 -1.40878 0.0 0
-M  V30 24 C 9.37061 -9.77608 0.0 0
+M  V30 24 C 7.29219 -0.896501 0.0 0
-M  V30 25 N 10.1295 -6.17025 0.0 0
+M  V30 25 C 6.48387 -1.27199 0.0 0
-M  V30 26 C 11.7911 -5.62804 0.0 0
+M  V30 26 C 7.07924 -7.65378 0.0 0
-M  V30 27 C 10.8612 -5.47731 0.0 0
+M  V30 27 C 7.85639 -7.2174 0.0 0
-M  V30 28 C 11.9372 -6.45321 0.0 0
+M  V30 28 C 7.86704 -6.32618 0.0 0
-M  V30 29 C 10.423 -6.76451 0.0 0
+M  V30 29 N 7.10055 -5.87135 0.0 0
-M  V30 30 C 11.2893 -6.96356 0.0 0
+M  V30 30 C 6.3234 -6.30773 0.0 0
-M  V30 31 C 9.75728 -3.84639 0.0 0
+M  V30 31 C 6.31275 -7.19895 0.0 0
-M  V30 32 C 11.3568 -3.66502 0.0 0
+M  V30 32 C 5.55691 -5.85289 0.0 0
-M  V30 33 C 10.5774 -3.33632 0.0 0
+M  V30 33 N 5.56756 -4.96168 0.0 0
-M  V30 34 C 11.4448 -4.44688 0.0 0
+M  V30 34 C 4.80107 -4.50684 0.0 0
-M  V30 35 N 9.75639 -4.75933 0.0 0
+M  V30 35 C 4.02393 -4.94323 0.0 0
-M  V30 36 C 10.7762 -4.92966 0.0 0
+M  V30 36 C 4.01327 -5.83444 0.0 0
-M  V30 37 Ru 8.40385 -6.13482 0.0 0
+M  V30 37 C 4.77976 -6.28928 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 2 3 1
+M  V30 1 2 2 3
-M  V30 2 2 4 2
+M  V30 2 1 3 4
-M  V30 3 1 1 5
+M  V30 3 2 4 5
-M  V30 4 1 2 3
+M  V30 4 1 5 6
-M  V30 5 2 5 6
+M  V30 5 2 6 7
-M  V30 6 1 6 4
+M  V30 6 1 7 2
-M  V30 7 2 9 7
+M  V30 7 1 6 8
-M  V30 8 2 10 8
+M  V30 8 2 8 9
-M  V30 9 1 7 11
+M  V30 9 1 9 10
-M  V30 10 1 8 9
+M  V30 10 2 10 11
-M  V30 11 2 11 12
+M  V30 11 1 11 12
-M  V30 12 1 12 10
+M  V30 12 2 12 13
-M  V30 13 2 15 13
+M  V30 13 1 13 8
-M  V30 14 2 16 14
+M  V30 14 2 14 15
-M  V30 15 1 13 17
+M  V30 15 1 15 16
-M  V30 16 1 14 15
+M  V30 16 2 16 17
-M  V30 17 2 17 18
+M  V30 17 1 17 18
-M  V30 18 1 18 16
+M  V30 18 2 18 19
-M  V30 19 2 21 19
+M  V30 19 1 19 14
-M  V30 20 2 22 20
+M  V30 20 1 18 20
-M  V30 21 1 19 23
+M  V30 21 2 20 21
-M  V30 22 1 20 21
+M  V30 22 1 21 22
-M  V30 23 2 23 24
+M  V30 23 2 22 23
-M  V30 24 1 24 22
+M  V30 24 1 23 24
-M  V30 25 2 27 25
+M  V30 25 2 24 25
-M  V30 26 2 28 26
+M  V30 26 1 25 20
-M  V30 27 1 25 29
+M  V30 27 8 17 1
-M  V30 28 1 26 27
+M  V30 28 8 5 1
-M  V30 29 2 29 30
+M  V30 29 8 9 1
-M  V30 30 1 30 28
+M  V30 30 8 21 1
-M  V30 31 2 33 31
+M  V30 31 2 26 27
-M  V30 32 2 34 32
+M  V30 32 1 27 28
-M  V30 33 1 31 35
+M  V30 33 2 28 29
-M  V30 34 1 32 33
+M  V30 34 1 29 30
-M  V30 35 2 35 36
+M  V30 35 2 30 31
-M  V30 36 1 36 34
+M  V30 36 1 31 26
-M  V30 37 1 8 5
+M  V30 37 1 30 32
-M  V30 38 1 14 19
+M  V30 38 2 32 33
-M  V30 39 1 27 36
+M  V30 39 1 33 34
-M  V30 40 10 10 37
+M  V30 40 2 34 35
-M  V30 41 10 6 37
+M  V30 41 1 35 36
-M  V30 42 10 37 35
+M  V30 42 2 36 37
-M  V30 43 10 25 37
+M  V30 43 1 37 32
-M  V30 44 10 21 37
+M  V30 44 8 1 29
-M  V30 45 10 15 37
+M  V30 45 8 1 33
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|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
+|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
 |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 15:40, 3 February 2023

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