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

C45H30AlN3O3 — CID 20608030

IUPACtris[(5-phenylquinolin-8-yl)oxy]alumane
SMILESc1ccc(-c2ccc(O[Al](Oc3ccc(-c4ccccc4)c4cccnc34)Oc3ccc(-c4ccccc4)c4cccnc34)c3ncccc23)cc1
InChIInChI=1S/3C15H11NO.Al/c3*17-14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-16-15(13)14;/h3*1-10,17H;/q;;;+3/p-3
InChIKeyGBRYOJYRBUXELD-UHFFFAOYSA-K
MW687.74 g/mol
LogP10.85
Rot. Bonds9

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

tris[(5-phenylquinolin-8-yl)oxy]alumane (PubChem CID 20608030) has the molecular formula C45H30AlN3O3 and a molecular weight of 687.74 g/mol. Its IUPAC name is tris[(5-phenylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Nametris[(5-phenylquinolin-8-yl)oxy]alumane
PubChem CID20608030
Molecular FormulaC45H30AlN3O3
Molecular Weight687.74 g/mol
Exact Mass687.21
IUPAC Nametris[(5-phenylquinolin-8-yl)oxy]alumane
SMILESc1ccc(-c2ccc(O[Al](Oc3ccc(-c4ccccc4)c4cccnc34)Oc3ccc(-c4ccccc4)c4cccnc34)c3ncccc23)cc1
InChIInChI=1S/3C15H11NO.Al/c3*17-14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-16-15(13)14;/h3*1-10,17H;/q;;;+3/p-3
InChIKeyGBRYOJYRBUXELD-UHFFFAOYSA-K
XLogP10.85
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.74
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
Cunilate
CID 56840841
5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 761547
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
5-({Benzyl[(8-hydroxy-5-quinolinyl)methyl]amino}methyl)-8-quinolinol
CID 25015251
Gallium 8-hydroxyquinolinate
CID 16686135
5-[[(8-Hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
5,5'-(2-(Pyridin-2-yl)ethylazanediyl)bis(methylene)diquinolin-8-ol
CID 45112672
5,5',5''-Nitrilotris(methylene)triquinolin-8-ol
CID 45112799
Diphenyl-bis(8-quinolyloxy)stannane
CID 16683148

Frequently Asked Questions

What is the IUPAC name of tris[(5-phenylquinolin-8-yl)oxy]alumane?
The IUPAC name of tris[(5-phenylquinolin-8-yl)oxy]alumane (CID 20608030) is tris[(5-phenylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for tris[(5-phenylquinolin-8-yl)oxy]alumane?
The canonical SMILES for tris[(5-phenylquinolin-8-yl)oxy]alumane is c1ccc(-c2ccc(O[Al](Oc3ccc(-c4ccccc4)c4cccnc34)Oc3ccc(-c4ccccc4)c4cccnc34)c3ncccc23)cc1.
What is the InChIKey of tris[(5-phenylquinolin-8-yl)oxy]alumane?
The InChIKey is GBRYOJYRBUXELD-UHFFFAOYSA-K. The full InChI is InChI=1S/3C15H11NO.Al/c3*17-14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-16-15(13)14;/h3*1-10,17H;/q;;;+3/p-3.
What are the key properties of tris[(5-phenylquinolin-8-yl)oxy]alumane?
tris[(5-phenylquinolin-8-yl)oxy]alumane has a molecular weight of 687.74 g/mol, XLogP of 10.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(5-phenylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 20608030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).