tris[(5-fluoroquinolin-8-yl)oxy]alumane

C27H15AlF3N3O3 — CID 58090173

IUPACtris[(5-fluoroquinolin-8-yl)oxy]alumane
SMILESFc1ccc(O[Al](Oc2ccc(F)c3cccnc23)Oc2ccc(F)c3cccnc23)c2ncccc12
InChIInChI=1S/3C9H6FNO.Al/c3*10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h3*1-5,12H;/q;;;+3/p-3
InChIKeyPODORNJIBXLRRS-UHFFFAOYSA-K
MW513.41 g/mol
LogP6.27
Rot. Bonds6

About tris[(5-fluoroquinolin-8-yl)oxy]alumane

tris[(5-fluoroquinolin-8-yl)oxy]alumane (PubChem CID 58090173) has the molecular formula C27H15AlF3N3O3 and a molecular weight of 513.41 g/mol. Its IUPAC name is tris[(5-fluoroquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Nametris[(5-fluoroquinolin-8-yl)oxy]alumane
PubChem CID58090173
Molecular FormulaC27H15AlF3N3O3
Molecular Weight513.41 g/mol
Exact Mass513.09
IUPAC Nametris[(5-fluoroquinolin-8-yl)oxy]alumane
SMILESFc1ccc(O[Al](Oc2ccc(F)c3cccnc23)Oc2ccc(F)c3cccnc23)c2ncccc12
InChIInChI=1S/3C9H6FNO.Al/c3*10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h3*1-5,12H;/q;;;+3/p-3
InChIKeyPODORNJIBXLRRS-UHFFFAOYSA-K
XLogP6.27
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.41
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Oxine-copper
CID 3032555
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
Cunilate
CID 56840841
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
Bis(quinolin-8-olato-N1,O8)nickel
CID 84198
Gallium 8-hydroxyquinolinate
CID 16686135
Zinc oxyquinolate
CID 84127
Magnesium, bis(8-quinolinolato-kappaN1,kappaO8)-, (T-4)-
CID 106206
Dibutyl-bis(8-quinolyloxy)stannane
CID 16683146
8-Quinolinol, magnesium salt
CID 517006

Frequently Asked Questions

What is the IUPAC name of tris[(5-fluoroquinolin-8-yl)oxy]alumane?
The IUPAC name of tris[(5-fluoroquinolin-8-yl)oxy]alumane (CID 58090173) is tris[(5-fluoroquinolin-8-yl)oxy]alumane.
What is the SMILES notation for tris[(5-fluoroquinolin-8-yl)oxy]alumane?
The canonical SMILES for tris[(5-fluoroquinolin-8-yl)oxy]alumane is Fc1ccc(O[Al](Oc2ccc(F)c3cccnc23)Oc2ccc(F)c3cccnc23)c2ncccc12.
What is the InChIKey of tris[(5-fluoroquinolin-8-yl)oxy]alumane?
The InChIKey is PODORNJIBXLRRS-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H6FNO.Al/c3*10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h3*1-5,12H;/q;;;+3/p-3.
What are the key properties of tris[(5-fluoroquinolin-8-yl)oxy]alumane?
tris[(5-fluoroquinolin-8-yl)oxy]alumane has a molecular weight of 513.41 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(5-fluoroquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 58090173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).