Info
| ID | 5561 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | 4 |
| SMILES | CCCCCCCCCCNCc1cc[c-]c(-c2cc(CNCCCCCCCCCC)ccn2)c1.CCCCCCCCCCNCc1cc[c-]c(-c2cc(CNCCCCCCCCCC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1 |
TUCAN
C78H120IrN8/(1-166)(2-139)(3-156)(4-149)(5-147)(6-148)(7-129)(8-134)(9-158)(10-146)(11-123)(12-122)(13-168)(14-131)(15-122)(16-157)(17-161)(18-160)(19-150)(20-192)(21-187)(22-188)(23-189)(24-143)(25-133)(26-145)(27-145)(28-158)(29-155)(30-168)(31-188)(32-190)(33-192)(34-193)(35-160)(36-169)(37-157)(38-172)(39-136)(40-121)(41-161)(42-163)(43-150)(44-173)(45-187)(46-137)(47-189)(48-166)(49-143)(50-144)(51-146)(52-123)(53-155)(54-194)(55-132)(56-191)(57-156)(58-149)(59-147)(60-148)(61-183)(62-121)(63-159)(64-123)(65-125)(66-122)(67-152)(68-184)(69-124)(70-172)(71-163)(72-169)(73-173)(74-193)(75-138)(76-190)(77-174)(78-144)(79-124)(80-165)(81-165)(82-159)(83-170)(84-152)(85-194)(86-191)(87-171)(88-171)(89-151)(90-151)(91-140)(92-186)(93-121)(94-126)(95-154)(96-154)(97-162)(98-162)(99-141)(100-142)(101-174)(102-167)(103-153)(104-164)(105-125)(106-125)(107-126)(108-153)(109-130)(110-135)(111-124)(112-170)(113-126)(114-164)(115-185)(116-167)(117-201)(118-199)(119-202)(120-200)(121-157)(122-175)(123-146)(124-179)(125-159)(126-172)(127-139)(127-178)(128-141)(128-181)(129-175)(129-196)(130-179)(130-197)(131-176)(131-178)(132-139)(132-176)(133-175)(133-183)(134-177)(134-184)(135-179)(135-185)(136-180)(136-186)(137-177)(137-195)(138-180)(138-198)(140-181)(140-182)(141-142)(142-182)(143-144)(143-168)(144-145)(145-158)(146-158)(147-160)(147-161)(148-157)(148-161)(149-150)(149-160)(150-156)(151-163)(151-172)(152-153)(152-170)(153-164)(154-163)(154-169)(155-166)(155-168)(156-192)(159-165)(162-173)(162-193)(164-165)(166-189)(167-170)(167-174)(169-171)(171-173)(174-194)(176-188)(177-187)(178-195)(180-191)(181-198)(182-190)(183-204)(184-203)(185-206)(186-205)(187-199)(188-201)(189-201)(190-202)(191-200)(192-199)(193-200)(194-202)(195-203)(196-197)(196-204)(197-206)(198-205)(203-207)(204-207)(205-207)(206-207)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | — | — | 10.1039/C8SC02984A | 2018 |
Source-assisted 2D generator
Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.
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