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CHEBI:47546 - DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II)

Default Structure
ChEBI IDCHEBI:47546
ChEBI NameDELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II)
Stars
Secondary ChEBI IDsCHEBI:47387, CHEBI:47545
Last Modified10 November 2007
DownloadsMolfile
FormulaC50H57N7ORu
Net Charge+2
Average Mass873.124
Monoisotopic Mass873.36571
SMILES[H]C1=C([H])C2=C3C([H])=C([H])C([H])=C([H])[N]3[Ru@OH23+2]34([N]2C([H])=C1[H])([N]1C([H])=C([H])C([H])=C([H])C1=C1C([H])=C([H])C([H])=C([H])[N]13)[N]1C([H])=C([H])C(C([H])([H])[H])=C([H])C1=C1C([H])=C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[C@]2([H])[C@@]3([H])C([H])([H])[C@]5([H])C([H])([H])[C@]([H])(C3([H])[H])C([H])([H])[C@@]2([H])C5([H])[H])C([H])=C([H])[N]14
InChIInChI=1S/C30H41N3O.2C10H8N2.Ru/c1-21-10-12-31-27(14-21)28-20-22(11-13-32-28)8-6-4-2-3-5-7-9-29(34)33-30-25-16-23-15-24(18-25)19-26(30)17-23;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h10-14,20,23-26,30H,2-9,15-19H2,1H3,(H,33,34);2*1-8H;/q3*-2;+8/b28-27-;2*10-9-;/t23-,24+,25-,26+,30-;;;
InChIKeyIGSCYCAKHRXAKK-KBBCMHLPSA-N
ChEBI Ontology
Outgoing Relation(s)
DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II) (CHEBI:47546) is a unclassifieds (CHEBI:27189)
Synonyms  Source
bis[1H,1'H-2,2'-bipyridinato(2-)-kappa~2~N~1~,N~1'~][9-(4'-methyl-1H,1'H-2,2'-bipyridin-4-yl-kappa~2~N~1~,N~1'~)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]nonanamidato(2-)]ruthenium(2+)PDBeChem
DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II)PDBeChem
LAMBDA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II)PDBeChem
Manual XrefsDatabases
DRBPDBeChem
LRBPDBeChem