tris(benzo[f]quinolin-5-yloxy)alumane

C39H24AlN3O3 — CID 20608027

IUPACtris(benzo[f]quinolin-5-yloxy)alumane
SMILESc1ccc2c(c1)cc(O[Al](Oc1cc3ccccc3c3cccnc13)Oc1cc3ccccc3c3cccnc13)c1ncccc12
InChIInChI=1S/3C13H9NO.Al/c3*15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;/h3*1-8,15H;/q;;;+3/p-3
InChIKeyYFWBQFVAAFXPPK-UHFFFAOYSA-K
MW609.62 g/mol
LogP9.31
Rot. Bonds6

About tris(benzo[f]quinolin-5-yloxy)alumane

tris(benzo[f]quinolin-5-yloxy)alumane (PubChem CID 20608027) has the molecular formula C39H24AlN3O3 and a molecular weight of 609.62 g/mol. Its IUPAC name is tris(benzo[f]quinolin-5-yloxy)alumane.

Molecular Properties

Compound Nametris(benzo[f]quinolin-5-yloxy)alumane
PubChem CID20608027
Molecular FormulaC39H24AlN3O3
Molecular Weight609.62 g/mol
Exact Mass609.16
IUPAC Nametris(benzo[f]quinolin-5-yloxy)alumane
SMILESc1ccc2c(c1)cc(O[Al](Oc1cc3ccccc3c3cccnc13)Oc1cc3ccccc3c3cccnc13)c1ncccc12
InChIInChI=1S/3C13H9NO.Al/c3*15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;/h3*1-8,15H;/q;;;+3/p-3
InChIKeyYFWBQFVAAFXPPK-UHFFFAOYSA-K
XLogP9.31
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.62
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Cunilate
CID 56840841
5-[[(8-Hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
DV 38
CID 3043305
Zinc 8-hydroxyquinolinate
CID 162394451
(T-4)-Bis(8-quinolinolato-I masculineN1,I masculineO8)manganese
CID 171041055
tri(quinolin-8-yloxy)(111In)indigane
CID 16682728
2,2'-(perfluoro-[1,1'-biphenyl]-2,2'-diyl)bis(2-([1,1'-biphenyl]-2-yl)-2H-2l4,3l4-[1,3,2]oxazaborolo[5,4,3-ij]quinoline)
CID 139173409
2,3,7,8-Tetrafluoro-5,10-bis(8-oxyquinolinato)-5,10-dihydroboranthrene
CID 168338855
CID 168338853
CID 168338853
Tris(8-hydroxyquinoline)al
CID 16716339
Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714

Frequently Asked Questions

What is the IUPAC name of tris(benzo[f]quinolin-5-yloxy)alumane?
The IUPAC name of tris(benzo[f]quinolin-5-yloxy)alumane (CID 20608027) is tris(benzo[f]quinolin-5-yloxy)alumane.
What is the SMILES notation for tris(benzo[f]quinolin-5-yloxy)alumane?
The canonical SMILES for tris(benzo[f]quinolin-5-yloxy)alumane is c1ccc2c(c1)cc(O[Al](Oc1cc3ccccc3c3cccnc13)Oc1cc3ccccc3c3cccnc13)c1ncccc12.
What is the InChIKey of tris(benzo[f]quinolin-5-yloxy)alumane?
The InChIKey is YFWBQFVAAFXPPK-UHFFFAOYSA-K. The full InChI is InChI=1S/3C13H9NO.Al/c3*15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;/h3*1-8,15H;/q;;;+3/p-3.
What are the key properties of tris(benzo[f]quinolin-5-yloxy)alumane?
tris(benzo[f]quinolin-5-yloxy)alumane has a molecular weight of 609.62 g/mol, XLogP of 9.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(benzo[f]quinolin-5-yloxy)alumane is sourced from PubChem (CID 20608027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).