Info
| ID | 5501 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | 3 |
| SMILES | CCNc1cc2c(cc1C)C1(c3cc(C)c(NCC)cc3O2)c2ccccc2C(=O)N1/N=C/c1cc2cccnc2c2ncccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C61H50IrN8O2/(1-69)(2-95)(3-58)(4-77)(5-100)(6-99)(7-100)(8-64)(9-96)(10-76)(11-101)(12-78)(13-62)(14-65)(15-57)(16-59)(17-68)(18-74)(19-75)(20-98)(21-63)(22-67)(23-66)(24-81)(25-80)(26-52)(27-52)(28-52)(29-51)(30-51)(31-51)(32-54)(33-53)(34-70)(35-53)(36-97)(37-60)(38-79)(39-72)(40-54)(41-83)(42-54)(43-53)(44-71)(45-101)(46-73)(47-61)(48-82)(49-113)(50-114)(51-87)(52-100)(53-101)(54-90)(55-58)(55-84)(56-62)(56-92)(57-58)(57-61)(59-63)(59-64)(60-61)(60-84)(62-66)(63-102)(64-95)(65-68)(65-96)(66-82)(67-68)(67-104)(69-103)(69-109)(70-71)(70-86)(71-98)(72-85)(72-87)(73-81)(73-97)(74-78)(74-89)(75-105)(75-110)(76-78)(76-80)(77-91)(77-94)(79-82)(79-92)(80-93)(81-94)(83-88)(83-90)(84-102)(85-108)(85-109)(86-91)(86-106)(87-103)(88-108)(88-110)(89-93)(89-111)(90-105)(91-99)(92-104)(93-108)(94-107)(95-116)(96-117)(97-118)(98-112)(99-119)(100-113)(101-114)(102-116)(103-113)(104-117)(105-114)(106-107)(106-112)(107-118)(108-115)(109-121)(110-121)(111-115)(111-120)(115-119)(116-122)(117-122)(118-122)(119-122)(121-122)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 4.4 | — | 10.1016/j.dyepig.2018.10.019 | 2019 |
| A549 | 4.6 | — | 10.1016/j.dyepig.2018.10.019 | 2019 |
| HepG2 | 6.2 | — | 10.1016/j.dyepig.2018.10.019 | 2019 |
| 16HBE | 6.8 | — | 10.1016/j.dyepig.2018.10.019 | 2019 |
| BEAS-2B | 12 | — | 10.1016/j.dyepig.2018.10.019 | 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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