TZ6

9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane

Created: 2023-01-18
Last modified:  2023-06-28

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count49
Aromatic Bond Count12
2D diagram of TZ6
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Chemical Component Summary

Name9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane
Systematic Name (OpenEye OEToolkits)9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane
FormulaC17 H18 F2 N2 O4 Ru2
Molecular Weight554.473
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC1O[Ru]23OC(C)O[Ru]2(O1)N(CN3c4ccc(F)cc4)c5ccc(F)cc5
SMILESOpenEye OEToolkits2.0.7CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)F)c5ccc(cc5)F
Canonical SMILESCACTVS3.385 CC1O[Ru]23OC(C)O[Ru]2(O1)N(CN3c4ccc(F)cc4)c5ccc(F)cc5
Canonical SMILESOpenEye OEToolkits2.0.7 CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)F)c5ccc(cc5)F
InChIInChI1.06 InChI=1S/C13H10F2N2.2C2H4O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2*1-2(3)4;;/h1-8H,9H2;2*2H,1H3;;/q3*-2;2*+3
InChIKeyInChI1.06 NOQXZAUOMFZMHS-UHFFFAOYSA-N