aluminum tris(4-phenylquinolin-8-olate)

C45H30AlN3O3 — CID 101048489

IUPACaluminum tris(4-phenylquinolin-8-olate)
SMILES[Al+3].[O-]c1cccc2c(-c3ccccc3)ccnc12.[O-]c1cccc2c(-c3ccccc3)ccnc12.[O-]c1cccc2c(-c3ccccc3)ccnc12
InChIInChI=1S/3C15H11NO.Al/c3*17-14-8-4-7-13-12(9-10-16-15(13)14)11-5-2-1-3-6-11;/h3*1-10,17H;/q;;;+3/p-3
InChIKeyZCKIKKJMUIIDKU-UHFFFAOYSA-K
MW687.74 g/mol
LogP8.55
Rot. Bonds3

About aluminum tris(4-phenylquinolin-8-olate)

aluminum tris(4-phenylquinolin-8-olate) (PubChem CID 101048489) has the molecular formula C45H30AlN3O3 and a molecular weight of 687.74 g/mol. Its IUPAC name is aluminum tris(4-phenylquinolin-8-olate).

Molecular Properties

Compound Namealuminum tris(4-phenylquinolin-8-olate)
PubChem CID101048489
Molecular FormulaC45H30AlN3O3
Molecular Weight687.74 g/mol
Exact Mass687.21
IUPAC Namealuminum tris(4-phenylquinolin-8-olate)
SMILES[Al+3].[O-]c1cccc2c(-c3ccccc3)ccnc12.[O-]c1cccc2c(-c3ccccc3)ccnc12.[O-]c1cccc2c(-c3ccccc3)ccnc12
InChIInChI=1S/3C15H11NO.Al/c3*17-14-8-4-7-13-12(9-10-16-15(13)14)11-5-2-1-3-6-11;/h3*1-10,17H;/q;;;+3/p-3
InChIKeyZCKIKKJMUIIDKU-UHFFFAOYSA-K
XLogP8.55
TPSA107.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.74
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of aluminum tris(4-phenylquinolin-8-olate)?
The IUPAC name of aluminum tris(4-phenylquinolin-8-olate) (CID 101048489) is aluminum tris(4-phenylquinolin-8-olate).
What is the SMILES notation for aluminum tris(4-phenylquinolin-8-olate)?
The canonical SMILES for aluminum tris(4-phenylquinolin-8-olate) is [Al+3].[O-]c1cccc2c(-c3ccccc3)ccnc12.[O-]c1cccc2c(-c3ccccc3)ccnc12.[O-]c1cccc2c(-c3ccccc3)ccnc12.
What is the InChIKey of aluminum tris(4-phenylquinolin-8-olate)?
The InChIKey is ZCKIKKJMUIIDKU-UHFFFAOYSA-K. The full InChI is InChI=1S/3C15H11NO.Al/c3*17-14-8-4-7-13-12(9-10-16-15(13)14)11-5-2-1-3-6-11;/h3*1-10,17H;/q;;;+3/p-3.
What are the key properties of aluminum tris(4-phenylquinolin-8-olate)?
aluminum tris(4-phenylquinolin-8-olate) has a molecular weight of 687.74 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(4-phenylquinolin-8-olate) is sourced from PubChem (CID 101048489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).