aluminum;bis(quinolin-2-olate);phenoxide

C24H17AlN2O3 — CID 67830362

IUPACaluminum;bis(quinolin-2-olate);phenoxide
SMILES[Al+3].[O-]c1ccc2ccccc2n1.[O-]c1ccc2ccccc2n1.[O-]c1ccccc1
InChIInChI=1S/2C9H7NO.C6H6O.Al/c2*11-9-6-5-7-3-1-2-4-8(7)10-9;7-6-4-2-1-3-5-6;/h2*1-6H,(H,10,11);1-5,7H;/q;;;+3/p-3
InChIKeyZSRXYIGPNWMIDP-UHFFFAOYSA-K
MW408.39 g/mol
LogP3.00
Rot. Bonds

About aluminum;bis(quinolin-2-olate);phenoxide

aluminum;bis(quinolin-2-olate);phenoxide (PubChem CID 67830362) has the molecular formula C24H17AlN2O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is aluminum;bis(quinolin-2-olate);phenoxide.

Molecular Properties

Compound Namealuminum;bis(quinolin-2-olate);phenoxide
PubChem CID67830362
Molecular FormulaC24H17AlN2O3
Molecular Weight408.39 g/mol
Exact Mass408.11
IUPAC Namealuminum;bis(quinolin-2-olate);phenoxide
SMILES[Al+3].[O-]c1ccc2ccccc2n1.[O-]c1ccc2ccccc2n1.[O-]c1ccccc1
InChIInChI=1S/2C9H7NO.C6H6O.Al/c2*11-9-6-5-7-3-1-2-4-8(7)10-9;7-6-4-2-1-3-5-6;/h2*1-6H,(H,10,11);1-5,7H;/q;;;+3/p-3
InChIKeyZSRXYIGPNWMIDP-UHFFFAOYSA-K
XLogP3.00
TPSA94.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

silver quinolin-2-olate
CID 162166701
quinolin-2-amine;zirconium
CID 175251209
CID 158897445
CID 158897445
disodium;hydride;phenoxide
CID 173446882
iridium;tris(2-phenylquinoline)
CID 122129463
2-iodoquinoline
CID 159061150
2-(2-phenylpropan-2-yl)quinoline
CID 151236236
2-tert-butylquinoline;methane
CID 164995315
quinoline-2-carbaldehyde;hydrate
CID 158547927
2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline
CID 58652112
2-fluoroquinoline;methane
CID 156751124
N-phenyl-1-quinolin-2-ylmethanimine
CID 13120185

Frequently Asked Questions

What is the IUPAC name of aluminum;bis(quinolin-2-olate);phenoxide?
The IUPAC name of aluminum;bis(quinolin-2-olate);phenoxide (CID 67830362) is aluminum;bis(quinolin-2-olate);phenoxide.
What is the SMILES notation for aluminum;bis(quinolin-2-olate);phenoxide?
The canonical SMILES for aluminum;bis(quinolin-2-olate);phenoxide is [Al+3].[O-]c1ccc2ccccc2n1.[O-]c1ccc2ccccc2n1.[O-]c1ccccc1.
What is the InChIKey of aluminum;bis(quinolin-2-olate);phenoxide?
The InChIKey is ZSRXYIGPNWMIDP-UHFFFAOYSA-K. The full InChI is InChI=1S/2C9H7NO.C6H6O.Al/c2*11-9-6-5-7-3-1-2-4-8(7)10-9;7-6-4-2-1-3-5-6;/h2*1-6H,(H,10,11);1-5,7H;/q;;;+3/p-3.
What are the key properties of aluminum;bis(quinolin-2-olate);phenoxide?
aluminum;bis(quinolin-2-olate);phenoxide has a molecular weight of 408.39 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;bis(quinolin-2-olate);phenoxide is sourced from PubChem (CID 67830362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).