Info
| ID | 4948 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 2 |
| Donor atoms | {"N": 3} |
| Abbreviation | Ir8 |
| SMILES | Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.c1ccncc1.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C38H34IrN3/(1-51)(2-49)(3-50)(4-35)(5-47)(6-35)(7-48)(8-36)(9-35)(10-41)(11-42)(12-43)(13-38)(14-54)(15-53)(16-36)(17-46)(18-69)(19-39)(20-67)(21-44)(22-45)(23-68)(24-70)(25-55)(26-40)(27-38)(28-56)(29-36)(30-37)(31-37)(32-37)(33-38)(34-52)(35-59)(36-60)(37-61)(38-64)(39-40)(39-57)(40-58)(41-42)(41-69)(42-57)(43-45)(43-67)(44-45)(44-68)(46-55)(46-58)(47-48)(47-62)(48-66)(49-51)(49-56)(50-51)(50-65)(52-56)(52-65)(53-54)(53-62)(54-66)(55-70)(57-71)(58-72)(59-60)(59-63)(60-61)(61-64)(62-63)(63-64)(65-66)(67-73)(68-73)(69-74)(70-75)(71-72)(71-74)(72-75)(73-76)(74-76)(75-76)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 4.4 | — | 10.1002/cbic.202000511 | 2020 |
| BEAS-2B | 6.3 | — | 10.1002/cbic.202000511 | 2020 |
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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