Info
| ID | 5916 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir3 |
| SMILES | CCCCn1c(-c2[c-]cccc2)nc2ccccc21.CCCCn1c(-c2[c-]cccc2)nc2ccccc21.O=C(OCCOCCOCCOCCO)c1ccnc(-c2cc(C(=O)OCCOCCOCCOCCO)ccn2)c1 |
TUCAN
C62H74IrN6O12/(1-120)(2-128)(3-127)(4-119)(5-80)(6-86)(7-83)(8-89)(9-101)(10-75)(11-120)(12-128)(13-127)(14-119)(15-109)(16-109)(17-81)(18-87)(19-101)(20-75)(21-134)(22-125)(23-90)(24-79)(25-107)(26-108)(27-84)(28-124)(29-131)(30-123)(31-133)(32-122)(33-129)(34-132)(35-121)(36-125)(37-134)(38-85)(39-124)(40-126)(41-131)(42-130)(43-126)(44-130)(45-123)(46-133)(47-122)(48-129)(49-132)(50-121)(51-82)(52-88)(53-91)(54-92)(55-93)(56-94)(57-110)(58-110)(59-102)(60-102)(61-75)(62-95)(63-99)(64-97)(65-98)(66-99)(67-100)(68-76)(69-76)(70-76)(71-96)(72-100)(73-145)(74-146)(75-101)(76-102)(77-86)(77-105)(78-98)(78-106)(79-104)(79-112)(80-86)(80-87)(81-87)(81-105)(82-88)(82-114)(83-88)(83-89)(84-103)(84-107)(85-104)(85-108)(89-111)(90-103)(90-113)(91-92)(91-96)(92-115)(93-94)(93-106)(94-97)(95-96)(95-116)(97-98)(99-101)(99-109)(100-102)(100-110)(103-136)(104-135)(105-117)(106-118)(107-141)(108-140)(109-137)(110-138)(111-114)(111-139)(112-113)(112-140)(113-141)(114-137)(115-116)(115-142)(116-138)(117-137)(117-139)(118-138)(118-142)(119-128)(119-154)(120-125)(120-149)(121-127)(121-149)(122-129)(122-150)(123-130)(123-150)(124-131)(124-146)(125-152)(126-133)(126-145)(127-147)(128-153)(129-153)(130-148)(131-148)(132-134)(132-151)(133-151)(134-147)(135-143)(135-152)(136-144)(136-154)(139-155)(140-155)(141-155)(142-155)(153-155)(154-155)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HEK293 | 28 | — | 10.1002/asia.202401060 | 2024 |
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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