tris[(5,7-dichloroquinolin-8-yl)oxy]alumane

C27H12AlCl6N3O3 — CID 16685322

IUPACtris[(5,7-dichloroquinolin-8-yl)oxy]alumane
SMILESClc1cc(Cl)c2cccnc2c1O[Al](Oc1c(Cl)cc(Cl)c2cccnc12)Oc1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/3C9H5Cl2NO.Al/c3*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h3*1-4,13H;/q;;;+3/p-3
InChIKeyADGHETHODYCQHQ-UHFFFAOYSA-K
MW666.11 g/mol
LogP9.77
Rot. Bonds6

About tris[(5,7-dichloroquinolin-8-yl)oxy]alumane

tris[(5,7-dichloroquinolin-8-yl)oxy]alumane (PubChem CID 16685322) has the molecular formula C27H12AlCl6N3O3 and a molecular weight of 666.11 g/mol. Its IUPAC name is tris[(5,7-dichloroquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Nametris[(5,7-dichloroquinolin-8-yl)oxy]alumane
PubChem CID16685322
Molecular FormulaC27H12AlCl6N3O3
Molecular Weight666.11 g/mol
Exact Mass662.88
IUPAC Nametris[(5,7-dichloroquinolin-8-yl)oxy]alumane
SMILESClc1cc(Cl)c2cccnc2c1O[Al](Oc1c(Cl)cc(Cl)c2cccnc12)Oc1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/3C9H5Cl2NO.Al/c3*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h3*1-4,13H;/q;;;+3/p-3
InChIKeyADGHETHODYCQHQ-UHFFFAOYSA-K
XLogP9.77
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.11
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tris[(5,7-dichloroquinolin-8-yl)oxy]alumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris[(5,7-dichloroquinolin-8-yl)oxy]alumane?
The IUPAC name of tris[(5,7-dichloroquinolin-8-yl)oxy]alumane (CID 16685322) is tris[(5,7-dichloroquinolin-8-yl)oxy]alumane.
What is the SMILES notation for tris[(5,7-dichloroquinolin-8-yl)oxy]alumane?
The canonical SMILES for tris[(5,7-dichloroquinolin-8-yl)oxy]alumane is Clc1cc(Cl)c2cccnc2c1O[Al](Oc1c(Cl)cc(Cl)c2cccnc12)Oc1c(Cl)cc(Cl)c2cccnc12.
What is the InChIKey of tris[(5,7-dichloroquinolin-8-yl)oxy]alumane?
The InChIKey is ADGHETHODYCQHQ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H5Cl2NO.Al/c3*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h3*1-4,13H;/q;;;+3/p-3.
What are the key properties of tris[(5,7-dichloroquinolin-8-yl)oxy]alumane?
tris[(5,7-dichloroquinolin-8-yl)oxy]alumane has a molecular weight of 666.11 g/mol, XLogP of 9.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(5,7-dichloroquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 16685322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).