Bis(8-hydroxy-2-methylquinoline)-(4-phenylphenoxy)aluminum

C₃₂H₂₅AlN₂O₃CAS 146162-54-1512.54 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃₂H₂₅AlN₂O₃
Molar mass: 512.54 g/mol
Exact mass: 512.1681 Da
logP: 7.59Crippen estimate
Polar surface area: 53.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

146162-54-1

SMILES

CC1=NC2=C(C=CC=C2O[Al](OC3=CC=C(C=C3)C4=CC=CC=C4)OC5=CC=CC6=C5N=C(C=C6)C)C=C1

InChIKey

UFVXQDWNSAGPHN-UHFFFAOYSA-K

InChI

InChI=1S/C12H10O.2C10H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Bis(2-methyl-8-quinolinolato-N1,O8)-(1,1'-biphenyl-4-olato)aluminum

Work with Bis(8-hydroxy-2-methylquinoline)-(4-phenylphenoxy)aluminum

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,8-Dimethylquinoline1463-17-843 % similar 8-Aminoquinaldine18978-78-442 % similar 8-Chloro-2-methylquinoline3033-82-742 % similar 8-Bromo-2-methyl-quinoline61047-43-642 % similar 2-Methyl-8-hydroxyquinoline826-81-341 % similar Neocuproine484-11-740 % similar Neocuproine hemihydrate34302-69-737 % similar 2-Methyl-8-nitroquinoline881-07-237 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook