Info
| ID | 5355 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir3 |
| SMILES | CN(C)C(=N)NC(=N)N.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C30H27IrN7/(1-32)(2-38)(3-30)(4-33)(5-31)(6-34)(7-50)(8-40)(9-41)(10-37)(11-39)(12-52)(13-50)(14-50)(15-51)(16-36)(17-43)(18-35)(19-53)(20-42)(21-51)(22-51)(23-58)(24-58)(25-61)(26-59)(27-62)(28-38)(28-45)(29-40)(29-49)(30-39)(30-44)(31-32)(31-44)(32-46)(33-34)(33-46)(34-38)(35-42)(35-48)(36-40)(36-41)(37-43)(37-48)(39-52)(41-47)(42-53)(43-47)(44-54)(45-46)(45-54)(47-49)(48-55)(49-55)(50-60)(51-60)(52-63)(53-64)(54-63)(55-64)(56-59)(56-60)(56-62)(57-58)(57-59)(57-61)(61-65)(62-65)(63-65)(64-65)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 7.2 | — | 10.1039/D0CC07104H | 2021 |
| A549 | 7.4 | — | 10.1039/D0CC07104H | 2021 |
| HeLa | 8.4 | — | 10.1039/D0CC07104H | 2021 |
| HLF | 9.3 | — | 10.1039/D0CC07104H | 2021 |
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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