tri(quinolin-8-yloxy)alumane

C27H18AlN3O3 — CID 16683111

IUPACtri(quinolin-8-yloxy)alumane
SMILESc1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/3C9H7NO.Al/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3
InChIKeyTVIVIEFSHFOWTE-UHFFFAOYSA-K
MW459.44 g/mol
LogP5.85
Rot. Bonds6

About tri(quinolin-8-yloxy)alumane

tri(quinolin-8-yloxy)alumane (PubChem CID 16683111) has the molecular formula C27H18AlN3O3 and a molecular weight of 459.44 g/mol. Its IUPAC name is tri(quinolin-8-yloxy)alumane.

Molecular Properties

Compound Nametri(quinolin-8-yloxy)alumane
PubChem CID16683111
Molecular FormulaC27H18AlN3O3
Molecular Weight459.44 g/mol
Exact Mass459.12
IUPAC Nametri(quinolin-8-yloxy)alumane
SMILESc1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/3C9H7NO.Al/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3
InChIKeyTVIVIEFSHFOWTE-UHFFFAOYSA-K
XLogP5.85
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(Dihydroxybismuthino)oxy]quinoline
CID 16684350
9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane
CID 160962485
8-(chloromethoxy)quinoline
CID 79531226
CID 137322014
CID 137322014
oxo(quinolin-8-yloxy)borane
CID 54325003
CID 160644085
CID 160644085
bis(1,10-phenanthroline);ruthenium
CID 15001085
sodium;copper(1+);quinolin-8-yl phosphite
CID 175504092
2-quinolin-8-yloxyethanamine
CID 17174906
tri(phenanthridin-4-yloxy)alumane
CID 24943485
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane
CID 102496753

Frequently Asked Questions

What is the IUPAC name of tri(quinolin-8-yloxy)alumane?
The IUPAC name of tri(quinolin-8-yloxy)alumane (CID 16683111) is tri(quinolin-8-yloxy)alumane.
What is the SMILES notation for tri(quinolin-8-yloxy)alumane?
The canonical SMILES for tri(quinolin-8-yloxy)alumane is c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of tri(quinolin-8-yloxy)alumane?
The InChIKey is TVIVIEFSHFOWTE-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H7NO.Al/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3.
What are the key properties of tri(quinolin-8-yloxy)alumane?
tri(quinolin-8-yloxy)alumane has a molecular weight of 459.44 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 16683111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).