Here are some compounds (taken from PubChem). I give no more explanation. I will be pleasantly surprised if you can work out why I have posted them.
1,1,1-Trifluoro-3-chloropropane:
Molecular Weight: 132.512 g/molMolecular Formula: C3H4ClF3Coronene:
Molecular Weight: 300.352 g/mol
Molecular Formula: C24H12
Gestrinone:
Molecular Weight: 308.414 g/mol
Molecular Formula: C21H24O2
Quartz:
Molecular Weight: 60.0843 g/molMolecular Formula: O2Si
An ingredient in polyurethane, an artificial hormone, a UV phosphor in CCDs and sand. I’d say you were building a digital camera, but what is the hormone for?
(1) Thanks for your reply, Bill. No – it’s nothing like that. I hope that when you or others work it out it will be clear it is he right answer. 🙂 – and (luckily for the safety of my colleagues) I am not an experimental scientist.
Difficult test cases for 2D layout programs?
(3) No…
The quartz is hilariously wrong; are all the structures misplotted?
Peter, are you trying to slow us down ??? What’s this of a BO tactic ?? 🙂
It’s not:
– the MD5 of the InChI is the same
– they are not all in WikiPedia, let alone one author in common
– they don’t share the logP (or any other property listed by PubChem
– that they are all wrong (first can’t go wrong, or…?)
– they don’t all have fancy colors
So, either one of the following has to do:
– they are deadly (quartz certainly, if you hit hard enough)
– they have the same space group
– the CIDs sum up to 71188
(5) No – unfortunately organic/biological chemical informaticians have a simplistic view of chemical connectivity – creating it when it’s not appropriate. The other structures are (I believe) correct and useful.
(6) Egon – your answer contains hints towards the answer.
Probably the less chemistry you know the easier it may be to get the answer. I have also had to make minor edits to the page since I mounted it as I was advised that I had used a wrong approach.