Info
| ID | 5346 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir3 |
| SMILES | O=C(OCCCOc1ccc(-n2c(-c3ccccc3)nc3c4cccnc4c4ncccc4c32)cc1)C(Cl)Cl.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C52H38Cl2IrN6O3/(1-42)(2-50)(3-41)(4-59)(5-67)(6-56)(7-87)(8-57)(9-76)(10-44)(11-77)(12-90)(13-49)(14-45)(15-62)(16-43)(17-61)(18-64)(19-47)(20-74)(21-48)(22-86)(23-68)(24-87)(25-52)(26-53)(27-58)(28-51)(29-60)(30-46)(31-86)(32-68)(33-55)(34-66)(35-75)(36-54)(37-65)(38-63)(39-43)(39-69)(40-46)(40-70)(41-50)(41-78)(42-44)(42-69)(43-45)(44-45)(46-63)(47-50)(47-74)(48-59)(48-75)(49-60)(49-70)(51-52)(51-88)(52-84)(53-64)(53-73)(54-56)(54-58)(55-65)(55-88)(56-57)(57-72)(58-66)(59-62)(60-63)(61-67)(61-71)(62-79)(64-77)(65-84)(66-72)(67-76)(68-86)(68-87)(69-78)(70-79)(71-80)(71-81)(72-85)(73-82)(73-83)(74-93)(75-96)(76-91)(77-94)(78-93)(79-96)(80-82)(80-91)(81-83)(81-92)(82-94)(83-95)(84-92)(85-92)(85-95)(86-99)(87-98)(88-98)(89-90)(89-97)(89-99)(90-100)(90-101)(93-102)(94-102)(95-102)(96-102)(98-102)(99-102)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 2.6 | 0.27 | 10.1039/C7CC05518H | 2017 |
| A549 | 3.9 | 0.52 | 10.1039/C7CC05518H | 2017 |
| A549cisR | 4 | 0.61 | 10.1039/C7CC05518H | 2017 |
| LO2 | 9 | 3 | 10.1039/C7CC05518H | 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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