[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane

C46H36Al2N4O6 — CID 23385460

IUPAC[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(O[Al](Oc4cccc5ccc(C)nc45)Oc4cccc5ccc(C)nc45)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/4C10H9NO.C6H6O2.2Al/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;7-5-1-2-6(8)4-3-5;;/h4*2-6,12H,1H3;1-4,7-8H;;/q;;;;;2*+3/p-6
InChIKeyFCITYNLOFNRNKL-UHFFFAOYSA-H
MW794.78 g/mol
LogP10.16
Rot. Bonds12

About [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane

[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane (PubChem CID 23385460) has the molecular formula C46H36Al2N4O6 and a molecular weight of 794.78 g/mol. Its IUPAC name is [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Name[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane
PubChem CID23385460
Molecular FormulaC46H36Al2N4O6
Molecular Weight794.78 g/mol
Exact Mass794.23
IUPAC Name[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(O[Al](Oc4cccc5ccc(C)nc45)Oc4cccc5ccc(C)nc45)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/4C10H9NO.C6H6O2.2Al/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;7-5-1-2-6(8)4-3-5;;/h4*2-6,12H,1H3;1-4,7-8H;;/q;;;;;2*+3/p-6
InChIKeyFCITYNLOFNRNKL-UHFFFAOYSA-H
XLogP10.16
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.78
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane?
The IUPAC name of [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane (CID 23385460) is [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane?
The canonical SMILES for [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane is Cc1ccc2cccc(O[Al](Oc3ccc(O[Al](Oc4cccc5ccc(C)nc45)Oc4cccc5ccc(C)nc45)cc3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane?
The InChIKey is FCITYNLOFNRNKL-UHFFFAOYSA-H. The full InChI is InChI=1S/4C10H9NO.C6H6O2.2Al/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;7-5-1-2-6(8)4-3-5;;/h4*2-6,12H,1H3;1-4,7-8H;;/q;;;;;2*+3/p-6.
What are the key properties of [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane?
[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane has a molecular weight of 794.78 g/mol, XLogP of 10.16, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 23385460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).