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	n/a
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 14:07, 12 January 2023

‎

Ru(bpy)3Cl2

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Click here to show SMILES and InChI.

‎

@@ Line 12: / Line 12: @@
 |moleculeKey=BZSVVCFHMVMYCR-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-10312214132D
+   -INDIGO-01122313562D
   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 C 7.01072 -3.66709 0.0 0
+M  V30 1 C 4.64702 -3.51052 0.0 0
-M  V30 2 C 8.46567 -3.66409 0.0 0
+M  V30 2 C 6.27416 -3.77437 0.0 0
-M  V30 3 C 7.77046 -3.26885 0.0 0
+M  V30 3 C 5.42497 -3.15907 0.0 0
-M  V30 4 C 8.55261 -4.48498 0.0 0
+M  V30 4 N 6.06766 -4.87614 0.0 0
-M  V30 5 C 6.99831 -4.48834 0.0 0
+M  V30 5 C 4.56021 -4.26388 0.0 0
-M  V30 6 N 8.04613 -4.95142 0.0 0
+M  V30 6 C 5.16664 -4.90267 0.0 0
-M  V30 7 C 4.53924 -4.91621 0.0 0
+M  V30 7 C 3.43886 -5.36601 0.0 0
-M  V30 8 C 6.15138 -4.95901 0.0 0
+M  V30 8 C 4.87896 -5.36529 0.0 0
-M  V30 9 C 5.26668 -4.50978 0.0 0
+M  V30 9 C 4.1013 -5.0306 0.0 0
-M  V30 10 N 6.29691 -5.77504 0.0 0
+M  V30 10 N 5.15229 -6.24817 0.0 0
-M  V30 11 C 4.54321 -5.76102 0.0 0
+M  V30 11 C 3.37145 -6.21125 0.0 0
-M  V30 12 C 5.35996 -6.26299 0.0 0
+M  V30 12 C 4.24098 -6.80462 0.0 0
-M  V30 13 C 6.41084 -7.74028 0.0 0
+M  V30 13 C 7.38788 -4.27932 0.0 0
-M  V30 14 C 7.98196 -8.24949 0.0 0
+M  V30 14 C 8.93207 -4.02652 0.0 0
-M  V30 15 N 7.458 -7.41393 0.0 0
+M  V30 15 C 8.18659 -3.71263 0.0 0
-M  V30 16 C 7.7065 -8.97042 0.0 0
+M  V30 16 C 9.06186 -4.74405 0.0 0
-M  V30 17 C 6.31664 -8.77002 0.0 0
+M  V30 17 N 7.54797 -5.23295 0.0 0
-M  V30 18 C 7.02114 -9.25145 0.0 0
+M  V30 18 C 8.5593 -5.32363 0.0 0
-M  V30 19 C 8.64747 -8.35517 0.0 0
+M  V30 19 C 8.94252 -5.82375 0.0 0
-M  V30 20 C 10.2569 -8.37475 0.0 0
+M  V30 20 C 10.4895 -5.73777 0.0 0
-M  V30 21 N 9.22788 -7.77097 0.0 0
+M  V30 21 C 9.79869 -5.4369 0.0 0
-M  V30 22 C 10.172 -9.41607 0.0 0
+M  V30 22 C 10.5869 -6.56002 0.0 0
-M  V30 23 C 8.73807 -9.30161 0.0 0
+M  V30 23 N 8.68604 -6.53412 0.0 0
-M  V30 24 C 9.37061 -9.77608 0.0 0
+M  V30 24 C 9.73239 -7.1522 0.0 0
-M  V30 25 N 10.1295 -6.17025 0.0 0
+M  V30 25 C 4.61702 -8.12194 0.0 0
-M  V30 26 C 11.7911 -5.62804 0.0 0
+M  V30 26 C 6.27773 -8.41503 0.0 0
-M  V30 27 C 10.8612 -5.47731 0.0 0
+M  V30 27 N 5.75308 -7.70609 0.0 0
-M  V30 28 C 11.9372 -6.45321 0.0 0
+M  V30 28 C 6.10642 -9.29956 0.0 0
-M  V30 29 C 10.423 -6.76451 0.0 0
+M  V30 29 C 4.61375 -9.27183 0.0 0
-M  V30 30 C 11.2893 -6.96356 0.0 0
+M  V30 30 C 5.43421 -9.70653 0.0 0
-M  V30 31 C 9.75728 -3.84639 0.0 0
+M  V30 31 C 6.85925 -8.42236 0.0 0
-M  V30 32 C 11.3568 -3.66502 0.0 0
+M  V30 32 C 8.49494 -8.03645 0.0 0
-M  V30 33 C 10.5774 -3.33632 0.0 0
+M  V30 33 N 7.4669 -7.64965 0.0 0
-M  V30 34 C 11.4448 -4.44688 0.0 0
+M  V30 34 C 8.56326 -9.14594 0.0 0
-M  V30 35 N 9.75639 -4.75933 0.0 0
+M  V30 35 C 7.05993 -9.29907 0.0 0
-M  V30 36 C 10.7762 -4.92966 0.0 0
+M  V30 36 C 7.79269 -9.65279 0.0 0
-M  V30 37 Ru 8.40385 -6.13482 0.0 0
+M  V30 37 Ru 6.78229 -6.42071 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 93: / Line 93: @@
 M  V30 35 2 35 36
 M  V30 36 1 36 34
-M  V30 37 1 8 5
+M  V30 37 1 6 8
-M  V30 38 1 14 19
+M  V30 38 1 18 19
-M  V30 39 1 27 36
+M  V30 39 1 26 31
-M  V30 40 10 10 37
+M  V30 40 10 4 37
-M  V30 41 10 6 37
+M  V30 41 10 10 37
-M  V30 42 10 37 35
+M  V30 42 10 27 37
-M  V30 43 10 25 37
+M  V30 43 10 33 37
-M  V30 44 10 21 37
+M  V30 44 10 23 37
-M  V30 45 10 15 37
+M  V30 45 10 17 37
 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=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 14:07, 12 January 2023

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