[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane

C50H38Al2N4O6 — CID 23385459

IUPAC[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(O[Al](Oc4cccc5ccc(C)nc45)Oc4cccc5ccc(C)nc45)c4ccccc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/4C10H9NO.C10H8O2.2Al/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-9-5-6-10(12)8-4-2-1-3-7(8)9;;/h4*2-6,12H,1H3;1-6,11-12H;;/q;;;;;2*+3/p-6
InChIKeyXQABNUUCBFRCSO-UHFFFAOYSA-H
MW844.84 g/mol
LogP11.31
Rot. Bonds12

About [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane

[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane (PubChem CID 23385459) has the molecular formula C50H38Al2N4O6 and a molecular weight of 844.84 g/mol. Its IUPAC name is [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Name[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
PubChem CID23385459
Molecular FormulaC50H38Al2N4O6
Molecular Weight844.84 g/mol
Exact Mass844.24
IUPAC Name[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(O[Al](Oc4cccc5ccc(C)nc45)Oc4cccc5ccc(C)nc45)c4ccccc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/4C10H9NO.C10H8O2.2Al/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-9-5-6-10(12)8-4-2-1-3-7(8)9;;/h4*2-6,12H,1H3;1-6,11-12H;;/q;;;;;2*+3/p-6
InChIKeyXQABNUUCBFRCSO-UHFFFAOYSA-H
XLogP11.31
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.84
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane?
The IUPAC name of [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane (CID 23385459) is [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane?
The canonical SMILES for [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane is Cc1ccc2cccc(O[Al](Oc3ccc(O[Al](Oc4cccc5ccc(C)nc45)Oc4cccc5ccc(C)nc45)c4ccccc34)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane?
The InChIKey is XQABNUUCBFRCSO-UHFFFAOYSA-H. The full InChI is InChI=1S/4C10H9NO.C10H8O2.2Al/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-9-5-6-10(12)8-4-2-1-3-7(8)9;;/h4*2-6,12H,1H3;1-6,11-12H;;/q;;;;;2*+3/p-6.
What are the key properties of [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane?
[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane has a molecular weight of 844.84 g/mol, XLogP of 11.31, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxynaphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 23385459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).