aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate

C32H25AlN2O3 — CID 22251246

IUPACaluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate
SMILESCc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Al+3].[O-]c1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H10O.2C10H9NO.Al/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,13H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyWDIXNURAWJTREU-UHFFFAOYSA-K
MW512.55 g/mol
LogP5.28
Rot. Bonds1

About aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate

aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate (PubChem CID 22251246) has the molecular formula C32H25AlN2O3 and a molecular weight of 512.55 g/mol. Its IUPAC name is aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate.

Molecular Properties

Compound Namealuminum;bis(2-methylquinolin-8-olate);3-phenylphenolate
PubChem CID22251246
Molecular FormulaC32H25AlN2O3
Molecular Weight512.55 g/mol
Exact Mass512.17
IUPAC Namealuminum;bis(2-methylquinolin-8-olate);3-phenylphenolate
SMILESCc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Al+3].[O-]c1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H10O.2C10H9NO.Al/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,13H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyWDIXNURAWJTREU-UHFFFAOYSA-K
XLogP5.28
TPSA94.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.55
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate?
The IUPAC name of aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate (CID 22251246) is aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate.
What is the SMILES notation for aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate?
The canonical SMILES for aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate is Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Al+3].[O-]c1cccc(-c2ccccc2)c1.
What is the InChIKey of aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate?
The InChIKey is WDIXNURAWJTREU-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H10O.2C10H9NO.Al/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,13H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate?
aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate has a molecular weight of 512.55 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate is sourced from PubChem (CID 22251246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).