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

C32H25AlN2O3 — CID 20588542

IUPACbis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccccc4)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=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
InChIKeyUFVXQDWNSAGPHN-UHFFFAOYSA-K
MW512.55 g/mol
LogP7.59
Rot. Bonds7

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

bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane (PubChem CID 20588542) has the molecular formula C32H25AlN2O3 and a molecular weight of 512.55 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane
PubChem CID20588542
Molecular FormulaC32H25AlN2O3
Molecular Weight512.55 g/mol
Exact Mass512.17
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccccc4)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=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
InChIKeyUFVXQDWNSAGPHN-UHFFFAOYSA-K
XLogP7.59
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.55
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane (CID 20588542) is bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane is Cc1ccc2cccc(O[Al](Oc3ccc(-c4ccccc4)cc3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane?
The InChIKey is UFVXQDWNSAGPHN-UHFFFAOYSA-K. The full InChI is 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.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane?
bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane has a molecular weight of 512.55 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)alumane is sourced from PubChem (CID 20588542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).