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 15:16, 1 December 2023

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@@ Line 10: / Line 10: @@
 |moleculeKey=BZSVVCFHMVMYCR-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-12012315152D
+   -INDIGO-11262314262D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 46: / Line 46: @@
 M  V30 29 C 10.423 -6.76451 0.0 0
 M  V30 30 C 11.2893 -6.96356 0.0 0
-M  V30 31 C 10.2823 -2.49639 0.0 0
+M  V30 31 C 9.75728 -3.84639 0.0 0
-M  V30 32 C 11.8818 -2.31502 0.0 0
+M  V30 32 C 11.3568 -3.66502 0.0 0
-M  V30 33 C 11.1024 -1.98632 0.0 0
+M  V30 33 C 10.5774 -3.33632 0.0 0
-M  V30 34 C 11.9698 -3.09688 0.0 0
+M  V30 34 C 11.4448 -4.44688 0.0 0
-M  V30 35 N 10.2814 -3.40933 0.0 0
+M  V30 35 N 9.75639 -4.75933 0.0 0
-M  V30 36 C 11.3012 -3.57966 0.0 0
+M  V30 36 C 10.7762 -4.92966 0.0 0
 M  V30 37 Ru 8.40385 -6.13482 0.0 0
 M  V30 END ATOM
@@ 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;