tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))

C60H54Al4N6O9+6 — CID 173129908

IUPACtetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))
SMILESCc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.[Al+3].[Al+3].[Al+3].[Al+3].[O-2].[O-2].[O-2]
InChIInChI=1S/6C10H9NO.4Al.3O/c6*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;;;;;/h6*2-6,12H,1H3;;;;;;;/q;;;;;;4*+3;3*-2
InChIKeyZXWOOTMDKBSOFW-UHFFFAOYSA-N
MW1111.05 g/mol
LogP11.61
Rot. Bonds

About tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))

tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-)) (PubChem CID 173129908) has the molecular formula C60H54Al4N6O9+6 and a molecular weight of 1111.05 g/mol. Its IUPAC name is tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-)).

Molecular Properties

Compound Nametetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))
PubChem CID173129908
Molecular FormulaC60H54Al4N6O9+6
Molecular Weight1111.05 g/mol
Exact Mass1110.32
IUPAC Nametetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))
SMILESCc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.[Al+3].[Al+3].[Al+3].[Al+3].[O-2].[O-2].[O-2]
InChIInChI=1S/6C10H9NO.4Al.3O/c6*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;;;;;/h6*2-6,12H,1H3;;;;;;;/q;;;;;;4*+3;3*-2
InChIKeyZXWOOTMDKBSOFW-UHFFFAOYSA-N
XLogP11.61
TPSA284.22 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001111.05
LogP ≤ 511.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 6371660
CID 6371660
CID 66916636
CID 66916636
CID 172780914
CID 172780914
CID 173009222
CID 173009222
ethane;bis(2-methylquinolin-8-ol);propane;hydrate
CID 143591758
CID 69253745
CID 69253745
2-methylquinolin-8-ol;2-phenylphenol;propane
CID 143547724
bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid
CID 175208993
6-hydroxy-2,3-dimethylbenzaldehyde;bis(2-methylquinolin-8-ol)
CID 87699542
21,22-dihydroporphyrin;bis(2-methylquinolin-8-ol)
CID 162049148
iron(3+);tris(2-methylquinolin-8-olate)
CID 139058244
8-chloro-2-methylquinolin-7-ol
CID 135858974

Frequently Asked Questions

What is the IUPAC name of tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))?
The IUPAC name of tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-)) (CID 173129908) is tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-)).
What is the SMILES notation for tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))?
The canonical SMILES for tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-)) is Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.[Al+3].[Al+3].[Al+3].[Al+3].[O-2].[O-2].[O-2].
What is the InChIKey of tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))?
The InChIKey is ZXWOOTMDKBSOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/6C10H9NO.4Al.3O/c6*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;;;;;/h6*2-6,12H,1H3;;;;;;;/q;;;;;;4*+3;3*-2.
What are the key properties of tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))?
tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-)) has a molecular weight of 1111.05 g/mol, XLogP of 11.61, 0 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-)) is sourced from PubChem (CID 173129908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).