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

C52H40Al2N4O6 — CID 21363298

IUPAC[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccc(O[Al](Oc5cccc6ccc(C)nc56)Oc5cccc6ccc(C)nc56)cc4)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C12H10O2.4C10H9NO.2Al/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h1-8,13-14H;4*2-6,12H,1H3;;/q;;;;;2*+3/p-6
InChIKeyQPSKHOUJZZPKFL-UHFFFAOYSA-H
MW870.88 g/mol
LogP11.82
Rot. Bonds13

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

[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane (PubChem CID 21363298) has the molecular formula C52H40Al2N4O6 and a molecular weight of 870.88 g/mol. Its IUPAC name is [4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Name[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane
PubChem CID21363298
Molecular FormulaC52H40Al2N4O6
Molecular Weight870.88 g/mol
Exact Mass870.26
IUPAC Name[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccc(O[Al](Oc5cccc6ccc(C)nc56)Oc5cccc6ccc(C)nc56)cc4)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C12H10O2.4C10H9NO.2Al/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h1-8,13-14H;4*2-6,12H,1H3;;/q;;;;;2*+3/p-6
InChIKeyQPSKHOUJZZPKFL-UHFFFAOYSA-H
XLogP11.82
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.88
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane?
The IUPAC name of [4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane (CID 21363298) is [4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for [4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane?
The canonical SMILES for [4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane is Cc1ccc2cccc(O[Al](Oc3ccc(-c4ccc(O[Al](Oc5cccc6ccc(C)nc56)Oc5cccc6ccc(C)nc56)cc4)cc3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of [4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane?
The InChIKey is QPSKHOUJZZPKFL-UHFFFAOYSA-H. The full InChI is InChI=1S/C12H10O2.4C10H9NO.2Al/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h1-8,13-14H;4*2-6,12H,1H3;;/q;;;;;2*+3/p-6.
What are the key properties of [4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane?
[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane has a molecular weight of 870.88 g/mol, XLogP of 11.82, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 21363298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).