Info
| ID | 6071 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 2 |
| Donor atoms | {"N": 6, "P": 1} |
| Abbreviation | DDIRP |
| SMILES | C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)[c-](C)c1C.Clc1cc2nc(-c3ccc4ccccc4n3)[nH]c2cc1Cl |
TUCAN
C32H36Cl2IrN6P/(1-46)(2-48)(3-49)(4-42)(5-37)(6-37)(7-37)(8-38)(9-38)(10-38)(11-39)(12-39)(13-60)(14-60)(15-61)(16-61)(17-62)(18-44)(19-43)(20-39)(21-40)(22-40)(23-40)(24-41)(25-41)(26-47)(27-45)(28-64)(29-64)(30-65)(31-62)(32-65)(33-66)(34-41)(35-66)(36-69)(37-50)(38-51)(39-52)(40-53)(41-54)(42-43)(42-56)(43-47)(44-57)(44-68)(45-59)(45-67)(46-47)(46-55)(48-49)(48-58)(49-55)(50-51)(50-52)(51-53)(52-54)(53-54)(55-56)(56-74)(57-59)(57-69)(58-63)(58-74)(59-73)(60-70)(60-72)(61-70)(61-71)(62-71)(62-72)(63-69)(63-73)(64-70)(64-75)(65-71)(65-75)(66-72)(66-75)(67-68)(67-77)(68-76)(73-78)(74-78)(75-78)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 23 | 2.8 | 10.1039/d3dt04361d | 2024 |
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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