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	Ru(bpy)3Cl2
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 13:23, 26 November 2023

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@@ Line 10: / Line 10: @@
 |moleculeKey=BZSVVCFHMVMYCR-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-10312214132D
+   -INDIGO-11262313222D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 22: / Line 22: @@
 M  V30 5 C 6.99831 -4.48834 0.0 0
 M  V30 6 N 8.04613 -4.95142 0.0 0
-M  V30 7 C 4.53924 -4.91621 0.0 0
+M  V30 7 C 4.81424 -5.61621 0.0 0
-M  V30 8 C 6.15138 -4.95901 0.0 0
+M  V30 8 C 6.42638 -5.65901 0.0 0
-M  V30 9 C 5.26668 -4.50978 0.0 0
+M  V30 9 C 5.54168 -5.20978 0.0 0
-M  V30 10 N 6.29691 -5.77504 0.0 0
+M  V30 10 N 6.57191 -6.47504 0.0 0
-M  V30 11 C 4.54321 -5.76102 0.0 0
+M  V30 11 C 4.81821 -6.46102 0.0 0
-M  V30 12 C 5.35996 -6.26299 0.0 0
+M  V30 12 C 5.63496 -6.96299 0.0 0
 M  V30 13 C 6.41084 -7.74028 0.0 0
 M  V30 14 C 7.98196 -8.24949 0.0 0
@@ Line 103: / Line 103: @@
 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
 |inchi=1S/3C10H8N2.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H;