aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate)

C36H25AlN2O3 — CID 69091139

IUPACaluminum;2,6-diphenylphenolate;bis(quinolin-8-olate)
SMILES[Al+3].[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/C18H14O.2C9H7NO.Al/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-13,19H;2*1-6,11H;/q;;;+3/p-3
InChIKeyNYGNDEVNHMWYQA-UHFFFAOYSA-K
MW560.59 g/mol
LogP6.33
Rot. Bonds2

About aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate)

aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate) (PubChem CID 69091139) has the molecular formula C36H25AlN2O3 and a molecular weight of 560.59 g/mol. Its IUPAC name is aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate).

Molecular Properties

Compound Namealuminum;2,6-diphenylphenolate;bis(quinolin-8-olate)
PubChem CID69091139
Molecular FormulaC36H25AlN2O3
Molecular Weight560.59 g/mol
Exact Mass560.17
IUPAC Namealuminum;2,6-diphenylphenolate;bis(quinolin-8-olate)
SMILES[Al+3].[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/C18H14O.2C9H7NO.Al/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-13,19H;2*1-6,11H;/q;;;+3/p-3
InChIKeyNYGNDEVNHMWYQA-UHFFFAOYSA-K
XLogP6.33
TPSA94.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.59
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

zinc bis(quinolin-8-olate)
CID 162394451
iron(2+);bis(quinolin-8-olate)
CID 14497034
palladium(2+);bis(quinolin-8-olate)
CID 15139981
tris(quinolin-8-olate);zirconium-89(3+)
CID 155884448
mercury;8-phenylquinoline;hydrate
CID 174770535
hafnium(4+);tetrakis(quinolin-8-olate);toluene
CID 139077805
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
aluminum tris(4-phenylquinolin-8-olate)
CID 101048489
dicalcium;chloroform;tetrakis(erbium(3+));hexadecakis(quinolin-8-olate)
CID 139170865
tetrapotassium;bis(quinolin-8-olate);sulfate
CID 170905215
magnesium;chloroform;bis(dysprosium(3+));octakis(quinolin-8-olate)
CID 139170863

Frequently Asked Questions

What is the IUPAC name of aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate)?
The IUPAC name of aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate) (CID 69091139) is aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate).
What is the SMILES notation for aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate)?
The canonical SMILES for aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate) is [Al+3].[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.
What is the InChIKey of aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate)?
The InChIKey is NYGNDEVNHMWYQA-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H14O.2C9H7NO.Al/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-13,19H;2*1-6,11H;/q;;;+3/p-3.
What are the key properties of aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate)?
aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate) has a molecular weight of 560.59 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate) is sourced from PubChem (CID 69091139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).