[(2S,2'S)-2,2'-bipiperidinato(2-)-kappa(2)N(1),N(1')][N,N-dimethyl-3-({11-[(4aS)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-kappa(2)N(1),N(10)]undecyl}oxy)anilinato(2-)][(6S)-6-[(2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium (CHEBI:47050)

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CHEBI:47050 - [(2S,2'S)-2,2'-bipiperidinato(2−)-κ²N¹,N^1'][N,N-dimethyl-3-({11-[(4aS)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-κ²N¹,N¹⁰]undecyl}oxy)anilinato(2−)][(6S)-6-[(2S)-piperidin-2-yl-κN]-1,2,3,6-tetrahydropyridinato(2−)-κN]ruthenium

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ChEBI ID	CHEBI:47050
ChEBI Name	[(2S,2'S)-2,2'-bipiperidinato(2−)-κ²N¹,N^1'][N,N-dimethyl-3-({11-[(4aS)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-κ²N¹,N¹⁰]undecyl}oxy)anilinato(2−)][(6S)-6-[(2S)-piperidin-2-yl-κN]-1,2,3,6-tetrahydropyridinato(2−)-κN]ruthenium
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ASCII Name	[(2S,2'S)-2,2'-bipiperidinato(2-)-kappa(2)N(1),N(1')][N,N-dimethyl-3-({11-[(4aS)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-kappa(2)N(1),N(10)]undecyl}oxy)anilinato(2-)][(6S)-6-[(2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium
Last Modified	11 March 2008
Downloads	Molfile

Formula	C51H75N7ORu
Net Charge	0
Average Mass	903.279
Monoisotopic Mass	903.50766
SMILES	[H]C1=C2C([H])=C([H])[C@@]3([H])C4=C2[N](C([H])=C1[H])[Ru@OH8]12([N]4C([H])([H])C([H])=C3C([H])([H])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([H])([H])C([H])([H])Oc3c([H])c([H])c([H])c(N(C([H])([H])[H])C([H])([H])[H])c3[H])([N]3C([H])([H])C([H])([H])C([H])=C([H])[C@]3([H])[C@@]3([H])[N]1C([H])([H])C([H])([H])C([H])([H])C3([H])[H])[N]1C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])[C@@]1([H])[N]2C([H])([H])C([H])([H])C([H])([H])C1([H])[H]
InChI	InChI=1S/C31H41N3O.C10H18N2.C10H16N2.Ru/c1-34(2)27-16-12-17-28(24-27)35-23-11-9-7-5-3-4-6-8-10-14-25-20-22-33-31-29(25)19-18-26-15-13-21-32-30(26)31;21-3-7-11-9(5-1)10-6-2-4-8-12-10;/h12-13,15-21,24,29H,3-11,14,22-23H2,1-2H3;9-10H,1-8H2;1,5,9-10H,2-4,6-8H2;/q3-2;+6/t29-;9-,10-;9-,10+;/m101./s1
InChIKey	SFKGVLGUYUYVDK-PRXDAEAJSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(2S,2'S)-2,2'-bipiperidinato(2−)-κ²N¹,N^1'][N,N-dimethyl-3-({11-[(4aS)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-κ²N¹,N¹⁰]undecyl}oxy)anilinato(2−)][(6S)-6-[(2S)-piperidin-2-yl-κN]-1,2,3,6-tetrahydropyridinato(2−)-κN]ruthenium (CHEBI:47050) is a bipiperidines (CHEBI:48576)
	[(2S,2'S)-2,2'-bipiperidinato(2−)-κ²N¹,N^1'][N,N-dimethyl-3-({11-[(4aS)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-κ²N¹,N¹⁰]undecyl}oxy)anilinato(2−)][(6S)-6-[(2S)-piperidin-2-yl-κN]-1,2,3,6-tetrahydropyridinato(2−)-κN]ruthenium (CHEBI:47050) is a phenanthrolines (CHEBI:48835)
	[(2S,2'S)-2,2'-bipiperidinato(2−)-κ²N¹,N^1'][N,N-dimethyl-3-({11-[(4aS)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-κ²N¹,N¹⁰]undecyl}oxy)anilinato(2−)][(6S)-6-[(2S)-piperidin-2-yl-κN]-1,2,3,6-tetrahydropyridinato(2−)-κN]ruthenium (CHEBI:47050) is a ruthenium coordination entity (CHEBI:35733)

Synonyms	Source
[(2S,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][N,N-dimethyl-3-({11-[(4aS)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~]undecyl}oxy)anilinato(2-)][(6S)-6-[(2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium	PDBeChem
RUTHENIUM WIRE, 11 CARBON LINKER	PDBeChem

Manual Xrefs	Databases
11R	PDBeChem