Info
| ID | 5546 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 4 |
| SMILES | CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.c1ccncc1.c1ccncc1 |
TUCAN
C46H54IrN6/(1-76)(2-56)(3-58)(4-58)(5-74)(6-59)(7-74)(8-64)(9-56)(10-89)(11-75)(12-65)(13-90)(14-58)(15-91)(16-63)(17-77)(18-56)(19-76)(20-60)(21-75)(22-59)(23-57)(24-59)(25-57)(26-73)(27-77)(28-55)(29-57)(30-73)(31-61)(32-61)(33-78)(34-61)(35-55)(36-80)(37-55)(38-62)(39-80)(40-78)(41-62)(42-60)(43-67)(44-92)(45-66)(46-60)(47-70)(48-69)(49-62)(50-79)(51-72)(52-79)(53-68)(54-71)(55-73)(56-74)(57-75)(58-77)(59-76)(60-79)(61-78)(62-80)(63-64)(63-65)(64-89)(65-90)(66-67)(66-72)(67-91)(68-93)(68-97)(69-94)(69-95)(70-98)(70-99)(71-96)(71-100)(72-92)(73-81)(74-83)(75-84)(76-85)(77-82)(78-86)(79-88)(80-87)(81-85)(81-95)(82-83)(82-94)(83-93)(84-88)(84-97)(85-98)(86-87)(86-99)(87-100)(88-96)(89-103)(90-103)(91-104)(92-104)(93-105)(94-105)(95-101)(96-106)(97-106)(98-101)(99-102)(100-102)(103-107)(104-107)(105-107)(106-107)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 0.1 | — | 10.1039/C8SC02920B | 2019 |
| NCI-H460 | 0.11 | 0.005 | 10.1039/C8SC02920B | 2019 |
| MCF-7 | 0.12 | — | 10.1039/C8SC02920B | 2019 |
| HCT-116 | 0.25 | — | 10.1039/C8SC02920B | 2019 |
| HCC827 | 1.3 | — | 10.1039/C8SC02920B | 2019 |
| HepG2 | 1.3 | — | 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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.