aluminum tris(5,7-dichloroquinolin-8-olate)

C27H12AlCl6N3O3 — CID 22660347

IUPACaluminum tris(5,7-dichloroquinolin-8-olate)
SMILES[Al+3].[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(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
LogP7.46
Rot. Bonds

About aluminum tris(5,7-dichloroquinolin-8-olate)

aluminum tris(5,7-dichloroquinolin-8-olate) (PubChem CID 22660347) has the molecular formula C27H12AlCl6N3O3 and a molecular weight of 666.11 g/mol. Its IUPAC name is aluminum tris(5,7-dichloroquinolin-8-olate).

Molecular Properties

Compound Namealuminum tris(5,7-dichloroquinolin-8-olate)
PubChem CID22660347
Molecular FormulaC27H12AlCl6N3O3
Molecular Weight666.11 g/mol
Exact Mass662.88
IUPAC Namealuminum tris(5,7-dichloroquinolin-8-olate)
SMILES[Al+3].[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(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
XLogP7.46
TPSA107.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.11
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of aluminum tris(5,7-dichloroquinolin-8-olate)?
The IUPAC name of aluminum tris(5,7-dichloroquinolin-8-olate) (CID 22660347) is aluminum tris(5,7-dichloroquinolin-8-olate).
What is the SMILES notation for aluminum tris(5,7-dichloroquinolin-8-olate)?
The canonical SMILES for aluminum tris(5,7-dichloroquinolin-8-olate) is [Al+3].[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.
What is the InChIKey of aluminum tris(5,7-dichloroquinolin-8-olate)?
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 aluminum tris(5,7-dichloroquinolin-8-olate)?
aluminum tris(5,7-dichloroquinolin-8-olate) has a molecular weight of 666.11 g/mol, XLogP of 7.46, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(5,7-dichloroquinolin-8-olate) is sourced from PubChem (CID 22660347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).