Info
| ID | 5760 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 2 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir-TPE |
| SMILES | Cc1ccnc(-c2cc(CNC(=O)c3ccc(-c4ccc(/C(=C(\c5ccccc5)c5ccc(OCCCC[P+](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c5ccccc5)cc4)cc3)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C89H73IrN5O2P/(1-74)(2-103)(3-84)(4-79)(5-91)(6-85)(7-127)(8-82)(9-81)(10-92)(11-90)(12-96)(13-111)(14-110)(15-117)(16-107)(17-109)(18-113)(19-94)(20-88)(21-147)(22-133)(23-129)(24-133)(25-95)(26-149)(27-132)(28-93)(29-132)(30-101)(31-99)(32-156)(33-102)(34-156)(35-98)(36-120)(37-112)(38-159)(39-100)(40-151)(41-124)(42-159)(43-123)(44-121)(45-114)(46-130)(47-105)(48-148)(49-80)(50-104)(51-74)(52-150)(53-151)(54-108)(55-125)(56-77)(57-131)(58-97)(59-106)(60-87)(61-78)(62-74)(63-89)(64-116)(65-115)(66-119)(67-86)(68-126)(69-118)(70-128)(71-83)(72-122)(73-163)(74-136)(75-85)(75-134)(76-127)(76-135)(77-79)(77-86)(78-81)(78-122)(79-134)(80-82)(80-152)(81-135)(82-84)(83-87)(83-153)(84-147)(85-86)(87-88)(88-148)(89-136)(89-150)(90-92)(90-160)(91-104)(91-139)(92-111)(93-99)(93-146)(94-120)(94-145)(95-136)(95-155)(96-109)(96-111)(97-103)(97-157)(98-102)(98-146)(99-144)(100-107)(100-140)(101-138)(101-149)(102-144)(103-137)(104-131)(105-126)(105-139)(106-118)(106-157)(107-117)(108-115)(108-140)(109-160)(110-113)(110-121)(112-114)(112-121)(113-161)(114-161)(115-117)(116-138)(116-154)(118-137)(119-123)(119-162)(120-143)(122-127)(123-130)(124-129)(124-143)(125-128)(125-130)(126-131)(128-162)(129-145)(132-133)(132-156)(133-159)(134-152)(135-153)(137-141)(138-151)(139-142)(140-141)(141-142)(142-143)(144-158)(145-146)(147-164)(148-165)(149-166)(150-167)(151-163)(152-164)(153-165)(154-155)(154-166)(155-167)(156-169)(157-169)(158-163)(158-168)(159-170)(160-170)(161-170)(162-170)(164-171)(165-171)(166-171)(167-171)(169-171)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 16 | 9.3 | 10.1016/j.cclet.2024.110099 | 2024 |
| A549 | 19 | 9 | 10.1016/j.cclet.2024.110099 | 2024 |
| MCF-7 | 25 | 8.1 | 10.1016/j.cclet.2024.110099 | 2024 |
| MCF-10A | 31 | — | 10.1016/j.cclet.2024.110099 | 2024 |
| HLF | 59 | — | 10.1016/j.cclet.2024.110099 | 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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