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

C36H27AlN2O3 — CID 58184871

IUPACbis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccc5ccccc5c4)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C16H12O.2C10H9NO.Al/c17-16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-11,17H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyQNOHKFKTYTVYQI-UHFFFAOYSA-K
MW562.61 g/mol
LogP8.74
Rot. Bonds7

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

bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane (PubChem CID 58184871) has the molecular formula C36H27AlN2O3 and a molecular weight of 562.61 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane
PubChem CID58184871
Molecular FormulaC36H27AlN2O3
Molecular Weight562.61 g/mol
Exact Mass562.18
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccc5ccccc5c4)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C16H12O.2C10H9NO.Al/c17-16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-11,17H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyQNOHKFKTYTVYQI-UHFFFAOYSA-K
XLogP8.74
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.61
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane
CID 58965829
bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane
CID 58251644
(2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane
CID 58004223
(2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 140659197
(2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane
CID 59133464
[4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58965815
bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane
CID 20679832
CID 159337647
CID 159337647
CID 20665518
CID 20665518
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282
benzo[f]azulene
CID 13065869
CID 23522312
CID 23522312

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane (CID 58184871) is bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane is Cc1ccc2cccc(O[Al](Oc3ccc(-c4ccc5ccccc5c4)cc3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane?
The InChIKey is QNOHKFKTYTVYQI-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H12O.2C10H9NO.Al/c17-16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-11,17H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane?
bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane has a molecular weight of 562.61 g/mol, XLogP of 8.74, 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-naphthalen-2-ylphenoxy)alumane is sourced from PubChem (CID 58184871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).