bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane

C40H29AlN2O3 — CID 58965829

IUPACbis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3cccc4cc(-c5ccc6ccccc6c5)ccc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C20H14O.2C10H9NO.Al/c21-20-7-3-6-18-13-17(10-11-19(18)20)16-9-8-14-4-1-2-5-15(14)12-16;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-13,21H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyRTDGMSJFKFYKEN-UHFFFAOYSA-K
MW612.67 g/mol
LogP9.89
Rot. Bonds7

About bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane

bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane (PubChem CID 58965829) has the molecular formula C40H29AlN2O3 and a molecular weight of 612.67 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane
PubChem CID58965829
Molecular FormulaC40H29AlN2O3
Molecular Weight612.67 g/mol
Exact Mass612.20
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3cccc4cc(-c5ccc6ccccc6c5)ccc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C20H14O.2C10H9NO.Al/c21-20-7-3-6-18-13-17(10-11-19(18)20)16-9-8-14-4-1-2-5-15(14)12-16;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-13,21H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyRTDGMSJFKFYKEN-UHFFFAOYSA-K
XLogP9.89
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.67
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane with MolForge

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Related Compounds

bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane
CID 58184871
bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane
CID 58251644
(2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 140659197
[4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58965815
(2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane
CID 58004223
(2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane
CID 59133464
CID 20665518
CID 20665518
bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane
CID 20679832
2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59399010
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282
2-methyl-5-(2-methylquinolin-8-yl)oxyquinolin-8-ol
CID 143770480
CID 159337647
CID 159337647

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane (CID 58965829) is bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane is Cc1ccc2cccc(O[Al](Oc3cccc4cc(-c5ccc6ccccc6c5)ccc34)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane?
The InChIKey is RTDGMSJFKFYKEN-UHFFFAOYSA-K. The full InChI is InChI=1S/C20H14O.2C10H9NO.Al/c21-20-7-3-6-18-13-17(10-11-19(18)20)16-9-8-14-4-1-2-5-15(14)12-16;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-13,21H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane?
bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane has a molecular weight of 612.67 g/mol, XLogP of 9.89, 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]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane is sourced from PubChem (CID 58965829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).