ZJO

1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane

Created: 2023-06-27
Last modified:  2023-09-13

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Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count63
Aromatic Bond Count24
2D diagram of ZJO
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Chemical Component Summary

Name1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane
Systematic Name (OpenEye OEToolkits)1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane
FormulaC26 H25 N4 O Ru2
Molecular Weight611.643
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O[Ru]1N(CN([Ru]N(CN1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)N2CN([Ru]3([Ru]2N(CN3c4ccccc4)c5ccccc5)O)c6ccccc6
Canonical SMILESCACTVS3.385 O[Ru]1N(CN([Ru]N(CN1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)N2CN([Ru]3([Ru]2N(CN3c4ccccc4)c5ccccc5)O)c6ccccc6
InChIInChI1.06 InChI=1S/2C13H12N2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;;;/h2*1-10H,11H2;1H2;;/q2*-2;;+2;+3/p-1
InChIKeyInChI1.06 PDMORHSIDGQFCT-UHFFFAOYSA-M