Info
| ID | 5541 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 2a |
| SMILES | Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([n-]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.Cn1[c-][n+](C)cc1.Cn1[c-][n+](C)cc1 |
TUCAN
C58H52IrN8/(1-53)(2-71)(3-55)(4-58)(5-63)(6-97)(7-65)(8-67)(9-60)(10-70)(11-74)(12-57)(13-53)(14-62)(15-56)(16-98)(17-59)(18-53)(19-55)(20-72)(21-54)(22-66)(23-54)(24-93)(25-99)(26-61)(27-80)(28-64)(29-73)(30-54)(31-68)(32-79)(33-93)(34-69)(35-77)(36-100)(37-93)(38-76)(39-56)(40-78)(41-56)(42-75)(43-55)(44-94)(45-94)(46-94)(47-95)(48-95)(49-95)(50-96)(51-96)(52-96)(53-83)(54-90)(55-89)(56-92)(57-60)(57-89)(58-63)(58-83)(59-61)(59-102)(60-81)(61-101)(62-77)(62-91)(63-85)(64-66)(64-81)(65-68)(65-83)(66-89)(67-69)(67-90)(68-85)(69-87)(70-71)(70-105)(71-106)(72-73)(72-107)(73-108)(74-75)(74-90)(75-87)(76-78)(76-91)(77-92)(78-92)(79-80)(79-103)(80-104)(81-82)(82-101)(82-103)(84-91)(84-106)(84-108)(85-86)(86-102)(86-105)(87-88)(88-104)(88-107)(93-113)(94-114)(95-115)(96-116)(97-98)(97-113)(98-114)(99-100)(99-115)(100-116)(101-117)(102-117)(103-118)(104-118)(105-111)(106-111)(107-112)(108-112)(109-113)(109-114)(110-115)(110-116)(117-119)(118-119)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 0.14 | — | 10.1039/C8SC02920B | 2019 |
| HeLa | 0.17 | — | 10.1039/C8SC02920B | 2019 |
| MCF-7 | 0.65 | — | 10.1039/C8SC02920B | 2019 |
| NCI-H460 | 1.2 | 0.11 | 10.1039/C8SC02920B | 2019 |
| HepG2 | 2.1 | — | 10.1039/C8SC02920B | 2019 |
| HCC827 | 2.3 | — | 10.1039/C8SC02920B | 2019 |
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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