bis(2-methylquinoline);triphenylsilyloxyaluminum(2+)

C38H33AlN2OSi+2 — CID 162162913

IUPACbis(2-methylquinoline);triphenylsilyloxyaluminum(2+)
SMILESCc1ccc2ccccc2n1.Cc1ccc2ccccc2n1.[Al+2]O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15OSi.2C10H9N.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*1-8-6-7-9-4-2-3-5-10(9)11-8;/h1-15H;2*2-7H,1H3;/q-1;;;+3
InChIKeyZMSPTXIMXMCEGK-UHFFFAOYSA-N
MW588.76 g/mol
LogP6.84
Rot. Bonds4

About bis(2-methylquinoline);triphenylsilyloxyaluminum(2+)

bis(2-methylquinoline);triphenylsilyloxyaluminum(2+) (PubChem CID 162162913) has the molecular formula C38H33AlN2OSi+2 and a molecular weight of 588.76 g/mol. Its IUPAC name is bis(2-methylquinoline);triphenylsilyloxyaluminum(2+).

Molecular Properties

Compound Namebis(2-methylquinoline);triphenylsilyloxyaluminum(2+)
PubChem CID162162913
Molecular FormulaC38H33AlN2OSi+2
Molecular Weight588.76 g/mol
Exact Mass588.22
IUPAC Namebis(2-methylquinoline);triphenylsilyloxyaluminum(2+)
SMILESCc1ccc2ccccc2n1.Cc1ccc2ccccc2n1.[Al+2]O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15OSi.2C10H9N.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*1-8-6-7-9-4-2-3-5-10(9)11-8;/h1-15H;2*2-7H,1H3;/q-1;;;+3
InChIKeyZMSPTXIMXMCEGK-UHFFFAOYSA-N
XLogP6.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.76
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+)
CID 87126051
ethane;methane;2-methylquinoline
CID 144748871
2-methylquinoline;naphthalene;hydrochloride
CID 175029103
dichloroplatinum;bis(2-methylquinoline)
CID 50909727
potassium;hydride;2-methylquinoline;tritetrafluoroborate
CID 175190029
dihydroxy(oxo)phosphanium;2-methylquinoline
CID 174867800
2-methylquinoline;pyrimidine
CID 174933863
1-chloronaphthalene;2-methylquinoline
CID 175049880
2-methylquinoline;quinoline-2-carboxamide
CID 174829911
butane-1,3-diol;2-methylquinoline
CID 141397242
2-methylbenzo[b][1,8]naphthyridine
CID 118895198
2-methylbenzo[b][1,10]phenanthroline
CID 11615688

Frequently Asked Questions

What is the IUPAC name of bis(2-methylquinoline);triphenylsilyloxyaluminum(2+)?
The IUPAC name of bis(2-methylquinoline);triphenylsilyloxyaluminum(2+) (CID 162162913) is bis(2-methylquinoline);triphenylsilyloxyaluminum(2+).
What is the SMILES notation for bis(2-methylquinoline);triphenylsilyloxyaluminum(2+)?
The canonical SMILES for bis(2-methylquinoline);triphenylsilyloxyaluminum(2+) is Cc1ccc2ccccc2n1.Cc1ccc2ccccc2n1.[Al+2]O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2-methylquinoline);triphenylsilyloxyaluminum(2+)?
The InChIKey is ZMSPTXIMXMCEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15OSi.2C10H9N.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*1-8-6-7-9-4-2-3-5-10(9)11-8;/h1-15H;2*2-7H,1H3;/q-1;;;+3.
What are the key properties of bis(2-methylquinoline);triphenylsilyloxyaluminum(2+)?
bis(2-methylquinoline);triphenylsilyloxyaluminum(2+) has a molecular weight of 588.76 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylquinoline);triphenylsilyloxyaluminum(2+) is sourced from PubChem (CID 162162913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).