bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+)

C38H31AlN2O3Si — CID 87126051

IUPACbis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+)
SMILESCc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Al+2]O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15OSi.2C10H9NO.Al/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-15H;2*2-6,12H,1H3;/q-1;;;+3/p-2
InChIKeyLCVOBYXVLPNZAB-UHFFFAOYSA-L
MW618.75 g/mol
LogP4.99
Rot. Bonds4

About bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+)

bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+) (PubChem CID 87126051) has the molecular formula C38H31AlN2O3Si and a molecular weight of 618.75 g/mol. Its IUPAC name is bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+).

Molecular Properties

Compound Namebis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+)
PubChem CID87126051
Molecular FormulaC38H31AlN2O3Si
Molecular Weight618.75 g/mol
Exact Mass618.19
IUPAC Namebis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+)
SMILESCc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Al+2]O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15OSi.2C10H9NO.Al/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-15H;2*2-6,12H,1H3;/q-1;;;+3/p-2
InChIKeyLCVOBYXVLPNZAB-UHFFFAOYSA-L
XLogP4.99
TPSA81.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.75
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+)?
The IUPAC name of bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+) (CID 87126051) is bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+).
What is the SMILES notation for bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+)?
The canonical SMILES for bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+) is Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Al+2]O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+)?
The InChIKey is LCVOBYXVLPNZAB-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15OSi.2C10H9NO.Al/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-15H;2*2-6,12H,1H3;/q-1;;;+3/p-2.
What are the key properties of bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+)?
bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+) has a molecular weight of 618.75 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+) is sourced from PubChem (CID 87126051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).