Info
| ID | 5254 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 4, "O": 1} |
| Abbreviation | 1 |
| SMILES | COc1c[c-]c(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1.COc1c[c-]c(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1.O=C([O-])c1cnccn1 |
TUCAN
C49H33Cl2IrN4O4/(1-49)(2-68)(3-48)(4-53)(5-47)(6-46)(7-59)(8-76)(9-69)(10-51)(11-57)(12-44)(13-58)(14-41)(15-39)(16-45)(17-38)(18-43)(19-52)(20-56)(21-76)(22-70)(23-36)(24-54)(25-55)(26-77)(27-37)(28-42)(29-50)(30-76)(31-40)(32-77)(33-77)(34-40)(34-67)(35-55)(35-63)(36-47)(36-51)(37-48)(37-78)(38-47)(38-65)(39-49)(39-73)(40-78)(41-66)(41-82)(42-51)(42-65)(43-59)(43-63)(44-53)(44-57)(45-57)(45-58)(46-56)(46-81)(48-67)(49-82)(50-60)(50-71)(52-61)(52-81)(53-62)(54-64)(54-74)(55-79)(56-72)(58-62)(59-79)(60-65)(60-66)(61-64)(61-72)(62-64)(63-74)(66-73)(67-71)(68-75)(68-84)(69-70)(69-85)(70-84)(71-83)(72-86)(73-83)(74-86)(75-80)(75-85)(76-89)(77-90)(78-89)(79-90)(80-87)(80-88)(81-92)(82-91)(83-93)(84-93)(85-93)(86-93)(90-93)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | — | — | 10.1016/j.poly.2016.07.031 | 2016 |
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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