bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane

C45H34Al2N4O6 — CID 21363295

IUPACbis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(O[Al](Oc4cccc5ccc(C)nc45)Oc4cccc5ccc(C)nc45)cc3)Oc3cccc4cccnc34)c2n1
InChIInChI=1S/3C10H9NO.C9H7NO.C6H6O2.2Al/c3*1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;7-5-1-2-6(8)4-3-5;;/h3*2-6,12H,1H3;1-6,11H;1-4,7-8H;;/q;;;;;2*+3/p-6
InChIKeyAJGYTWVNMSLOLV-UHFFFAOYSA-H
MW780.75 g/mol
LogP9.85
Rot. Bonds12

About bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane

bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane (PubChem CID 21363295) has the molecular formula C45H34Al2N4O6 and a molecular weight of 780.75 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane
PubChem CID21363295
Molecular FormulaC45H34Al2N4O6
Molecular Weight780.75 g/mol
Exact Mass780.21
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(O[Al](Oc4cccc5ccc(C)nc45)Oc4cccc5ccc(C)nc45)cc3)Oc3cccc4cccnc34)c2n1
InChIInChI=1S/3C10H9NO.C9H7NO.C6H6O2.2Al/c3*1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;7-5-1-2-6(8)4-3-5;;/h3*2-6,12H,1H3;1-6,11H;1-4,7-8H;;/q;;;;;2*+3/p-6
InChIKeyAJGYTWVNMSLOLV-UHFFFAOYSA-H
XLogP9.85
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.75
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane with MolForge

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Related Compounds

Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Cunilate
CID 56840841
Diisopropoxybis(chinoline-8-olato)titanium(IV)
CID 24202322
Zinc 8-hydroxyquinolinate
CID 162394451
(T-4)-Bis(8-quinolinolato-I masculineN1,I masculineO8)manganese
CID 171041055
tri(quinolin-8-yloxy)(111In)indigane
CID 16682728
2,2'-(perfluoro-[1,1'-biphenyl]-2,2'-diyl)bis(2-([1,1'-biphenyl]-2-yl)-2H-2l4,3l4-[1,3,2]oxazaborolo[5,4,3-ij]quinoline)
CID 139173409
2,3,7,8-Tetrafluoro-5,10-bis(8-oxyquinolinato)-5,10-dihydroboranthrene
CID 168338855
CID 168338853
CID 168338853
Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
Aluminium tri(quinolin-8-olate)
CID 90594
Tris[(5-fluoroquinolin-8-yl)oxy]alumane
CID 58090173

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane (CID 21363295) is bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane is Cc1ccc2cccc(O[Al](Oc3ccc(O[Al](Oc4cccc5ccc(C)nc45)Oc4cccc5ccc(C)nc45)cc3)Oc3cccc4cccnc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane?
The InChIKey is AJGYTWVNMSLOLV-UHFFFAOYSA-H. The full InChI is InChI=1S/3C10H9NO.C9H7NO.C6H6O2.2Al/c3*1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;7-5-1-2-6(8)4-3-5;;/h3*2-6,12H,1H3;1-6,11H;1-4,7-8H;;/q;;;;;2*+3/p-6.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane?
bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane has a molecular weight of 780.75 g/mol, XLogP of 9.85, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane is sourced from PubChem (CID 21363295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).