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Complex #6256 — Re(1) [2b]

2D Structure

Structure
⬇ MOL V3000

Info

ID6256
MetalRe
Oxidation state1
Charge1
Donor atoms{"N": 3, "O": 3}
Abbreviation2b
SMILESOCc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C33H23N3O4Re/(1-26)(2-27)(3-28)(4-24)(5-39)(6-49)(7-25)(8-30)(9-29)(10-47)(11-37)(12-32)(13-33)(14-35)(15-48)(16-31)(17-36)(18-34)(19-56)(20-38)(21-56)(22-50)(23-63)(24-26)(24-40)(25-27)(25-40)(26-28)(27-28)(29-37)(29-43)(30-33)(30-41)(31-33)(31-36)(32-42)(32-47)(34-45)(34-48)(35-36)(35-41)(37-44)(38-39)(38-46)(39-49)(40-42)(41-45)(42-43)(43-51)(44-45)(44-52)(46-50)(46-56)(47-57)(48-58)(49-59)(50-59)(51-52)(51-57)(52-58)(53-60)(54-61)(55-62)(56-63)(57-64)(58-64)(59-64)(63-64)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa1.7— 10.1021/acsami.7b01764 2017
A549cisR2.7— 10.1021/acsami.7b01764 2017
A5495.5— 10.1021/acsami.7b01764 2017
LO27.6— 10.1021/acsami.7b01764 2017

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.

experimental validation surface
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