Info
| ID | 4981 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir2 |
| SMILES | CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C50H42IrN6O4S2/(1-59)(2-43)(3-65)(4-43)(5-75)(6-53)(7-60)(8-43)(9-73)(10-52)(11-50)(12-67)(13-56)(14-63)(15-66)(16-45)(17-77)(18-77)(19-44)(20-44)(21-51)(22-44)(23-75)(24-62)(25-49)(26-74)(27-61)(28-58)(29-68)(30-54)(31-55)(32-45)(33-45)(34-78)(35-78)(36-57)(37-64)(38-76)(39-76)(40-46)(41-46)(42-46)(43-75)(44-76)(45-77)(46-78)(47-69)(47-70)(48-71)(48-72)(49-57)(49-90)(50-53)(50-73)(51-59)(51-72)(52-53)(52-81)(54-55)(54-70)(55-84)(56-63)(56-89)(57-64)(58-61)(58-62)(59-80)(60-80)(60-85)(61-83)(62-74)(63-66)(64-65)(65-79)(66-68)(67-84)(67-86)(68-82)(69-88)(69-92)(70-86)(71-87)(71-91)(72-85)(73-95)(74-98)(75-93)(76-93)(77-94)(78-94)(79-90)(79-96)(80-93)(81-83)(81-95)(82-89)(82-97)(83-98)(84-94)(85-101)(86-102)(87-99)(87-101)(88-100)(88-102)(89-104)(90-103)(91-96)(91-103)(92-97)(92-104)(95-105)(96-105)(97-105)(98-105)(102-105)(104-105)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| LO2 | 0.73 | — | 10.1002/ange.202015671 | 2021 |
| NP69 | 6.3 | — | 10.1002/ange.202015671 | 2021 |
| HEK293T | 8.4 | — | 10.1002/ange.202015671 | 2021 |
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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