(2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane

C28H25AlN2O3 — CID 140659197

IUPAC(2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3c(C)cccc3C)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/2C10H9NO.C8H10O.Al/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-6-4-3-5-7(2)8(6)9;/h2*2-6,12H,1H3;3-5,9H,1-2H3;/q;;;+3/p-3
InChIKeyHJIPNTADLUEEED-UHFFFAOYSA-K
MW464.50 g/mol
LogP6.54
Rot. Bonds6

About (2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane

(2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane (PubChem CID 140659197) has the molecular formula C28H25AlN2O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is (2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Name(2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
PubChem CID140659197
Molecular FormulaC28H25AlN2O3
Molecular Weight464.50 g/mol
Exact Mass464.17
IUPAC Name(2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3c(C)cccc3C)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/2C10H9NO.C8H10O.Al/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-6-4-3-5-7(2)8(6)9;/h2*2-6,12H,1H3;3-5,9H,1-2H3;/q;;;+3/p-3
InChIKeyHJIPNTADLUEEED-UHFFFAOYSA-K
XLogP6.54
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane?
The IUPAC name of (2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane (CID 140659197) is (2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for (2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane?
The canonical SMILES for (2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane is Cc1ccc2cccc(O[Al](Oc3c(C)cccc3C)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of (2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane?
The InChIKey is HJIPNTADLUEEED-UHFFFAOYSA-K. The full InChI is InChI=1S/2C10H9NO.C8H10O.Al/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-6-4-3-5-7(2)8(6)9;/h2*2-6,12H,1H3;3-5,9H,1-2H3;/q;;;+3/p-3.
What are the key properties of (2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane?
(2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane has a molecular weight of 464.50 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 140659197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).