Info
| ID | 5589 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir4 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2cc3[nH]c(-c4ccc5ccccc5n4)nc3cc2c1 |
TUCAN
C42H29IrN5/(1-36)(2-37)(3-41)(4-50)(5-48)(6-46)(7-51)(8-63)(9-45)(10-53)(11-34)(12-47)(13-54)(14-56)(15-38)(16-52)(17-42)(18-49)(19-33)(20-35)(21-64)(22-32)(23-44)(24-43)(25-39)(26-55)(27-40)(28-57)(29-72)(30-36)(30-61)(31-39)(31-62)(32-60)(32-66)(33-49)(33-58)(34-42)(34-59)(35-43)(35-58)(36-45)(37-45)(37-51)(38-53)(38-67)(39-57)(40-55)(40-68)(41-53)(41-63)(42-48)(43-69)(44-48)(44-60)(46-47)(46-70)(47-49)(50-59)(50-65)(51-61)(52-54)(52-62)(54-57)(55-56)(56-64)(58-70)(59-60)(61-67)(62-68)(63-73)(64-74)(65-66)(65-72)(66-76)(67-73)(68-74)(69-71)(69-75)(70-75)(71-72)(71-76)(73-77)(74-77)(75-77)(76-77)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | — | 0.21 | 10.1021/acsami.7b10258 | 2017 |
| A549 | — | 0.31 | 10.1021/acsami.7b10258 | 2017 |
| A549cisR | — | 0.72 | 10.1021/acsami.7b10258 | 2017 |
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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