benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane

C32H22AlN3O3 — CID 58785562

IUPACbenzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane
SMILESCc1cc(O[Al](Oc2cccc3cccnc23)Oc2cc3ccccc3c3cccnc23)c2ncccc2c1
InChIInChI=1S/C13H9NO.C10H9NO.C9H7NO.Al/c15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;1-7-5-8-3-2-4-11-10(8)9(12)6-7;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-8,15H;2-6,12H,1H3;1-6,11H;/q;;;+3/p-3
InChIKeySKKDGGWBXMUKLA-UHFFFAOYSA-K
MW523.53 g/mol
LogP7.31
Rot. Bonds6

About benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane

benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane (PubChem CID 58785562) has the molecular formula C32H22AlN3O3 and a molecular weight of 523.53 g/mol. Its IUPAC name is benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane.

Molecular Properties

Compound Namebenzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane
PubChem CID58785562
Molecular FormulaC32H22AlN3O3
Molecular Weight523.53 g/mol
Exact Mass523.15
IUPAC Namebenzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane
SMILESCc1cc(O[Al](Oc2cccc3cccnc23)Oc2cc3ccccc3c3cccnc23)c2ncccc2c1
InChIInChI=1S/C13H9NO.C10H9NO.C9H7NO.Al/c15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;1-7-5-8-3-2-4-11-10(8)9(12)6-7;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-8,15H;2-6,12H,1H3;1-6,11H;/q;;;+3/p-3
InChIKeySKKDGGWBXMUKLA-UHFFFAOYSA-K
XLogP7.31
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.53
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane with MolForge

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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
Quinolinium,6-methyl-, iodide
CID 135534457
5-(2-(1,6-Dimethyl-1lambda(5)-quinolin-2-yl)vinyl)-8-quinolinol
CID 494054
DV 38
CID 3043305
Diisopropoxybis(chinoline-8-olato)titanium(IV)
CID 24202322
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

Frequently Asked Questions

What is the IUPAC name of benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane?
The IUPAC name of benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane (CID 58785562) is benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane.
What is the SMILES notation for benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane?
The canonical SMILES for benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane is Cc1cc(O[Al](Oc2cccc3cccnc23)Oc2cc3ccccc3c3cccnc23)c2ncccc2c1.
What is the InChIKey of benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane?
The InChIKey is SKKDGGWBXMUKLA-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H9NO.C10H9NO.C9H7NO.Al/c15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;1-7-5-8-3-2-4-11-10(8)9(12)6-7;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-8,15H;2-6,12H,1H3;1-6,11H;/q;;;+3/p-3.
What are the key properties of benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane?
benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane has a molecular weight of 523.53 g/mol, XLogP of 7.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]quinolin-5-yloxy-(6-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumane is sourced from PubChem (CID 58785562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).