bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane

C44H40Al2N4O5 — CID 21363299

IUPACbis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane
SMILESCc1cc(C)c2cccc(O[Al](Oc3cccc4c(C)cc(C)nc34)O[Al](Oc3cccc4c(C)cc(C)nc34)Oc3cccc4c(C)cc(C)nc34)c2n1
InChIInChI=1S/4C11H11NO.2Al.O/c4*1-7-6-8(2)12-11-9(7)4-3-5-10(11)13;;;/h4*3-6,13H,1-2H3;;;/q;;;;2*+2;/p-4
InChIKeyFQZRNZLAVHOFMG-UHFFFAOYSA-J
MW758.79 g/mol
LogP9.95
Rot. Bonds10

About bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane

bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane (PubChem CID 21363299) has the molecular formula C44H40Al2N4O5 and a molecular weight of 758.79 g/mol. Its IUPAC name is bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Namebis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane
PubChem CID21363299
Molecular FormulaC44H40Al2N4O5
Molecular Weight758.79 g/mol
Exact Mass758.26
IUPAC Namebis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane
SMILESCc1cc(C)c2cccc(O[Al](Oc3cccc4c(C)cc(C)nc34)O[Al](Oc3cccc4c(C)cc(C)nc34)Oc3cccc4c(C)cc(C)nc34)c2n1
InChIInChI=1S/4C11H11NO.2Al.O/c4*1-7-6-8(2)12-11-9(7)4-3-5-10(11)13;;;/h4*3-6,13H,1-2H3;;;/q;;;;2*+2;/p-4
InChIKeyFQZRNZLAVHOFMG-UHFFFAOYSA-J
XLogP9.95
TPSA97.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.79
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane?
The IUPAC name of bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane (CID 21363299) is bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane?
The canonical SMILES for bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane is Cc1cc(C)c2cccc(O[Al](Oc3cccc4c(C)cc(C)nc34)O[Al](Oc3cccc4c(C)cc(C)nc34)Oc3cccc4c(C)cc(C)nc34)c2n1.
What is the InChIKey of bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane?
The InChIKey is FQZRNZLAVHOFMG-UHFFFAOYSA-J. The full InChI is InChI=1S/4C11H11NO.2Al.O/c4*1-7-6-8(2)12-11-9(7)4-3-5-10(11)13;;;/h4*3-6,13H,1-2H3;;;/q;;;;2*+2;/p-4.
What are the key properties of bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane?
bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane has a molecular weight of 758.79 g/mol, XLogP of 9.95, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2,4-dimethylquinolin-8-yl)oxy]alumanyloxy-bis[(2,4-dimethylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 21363299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).