Info
| ID | 5253 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ir-1 |
| SMILES | Nc1ccc(-c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1N.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C46H32IrN8/(1-38)(2-53)(3-39)(4-35)(5-45)(6-65)(7-47)(8-36)(9-42)(10-37)(11-54)(12-41)(13-40)(14-50)(15-52)(16-44)(17-68)(18-49)(19-43)(20-48)(21-57)(22-58)(23-46)(24-67)(25-56)(26-51)(27-66)(28-55)(29-80)(30-80)(31-79)(32-79)(33-38)(33-59)(34-39)(34-60)(35-38)(35-42)(36-47)(36-65)(37-48)(37-66)(39-40)(40-56)(41-42)(41-59)(43-51)(43-61)(44-46)(44-67)(45-64)(45-71)(46-63)(47-54)(48-55)(49-56)(49-60)(50-57)(50-64)(51-68)(52-58)(52-72)(53-62)(53-78)(54-69)(55-70)(57-75)(58-62)(59-69)(60-70)(61-73)(61-74)(62-64)(63-76)(63-77)(65-83)(66-84)(67-86)(68-81)(69-83)(70-84)(71-75)(71-79)(72-78)(72-85)(73-76)(73-81)(74-77)(74-82)(75-80)(76-86)(77-85)(78-82)(83-87)(84-87)(85-87)(86-87)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEL-7402 | 14 | — | 10.1016/j.poly.2018.09.057 | 2018 |
| A549 | 14 | — | 10.1016/j.poly.2018.09.057 | 2018 |
| EC109 | 15 | — | 10.1016/j.poly.2018.09.057 | 2018 |
| LO2 | 25 | — | 10.1016/j.poly.2018.09.057 | 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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