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

C40H29AlN2O3 — CID 58184653

IUPACbis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-2-yl)oxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C20H14O.2C10H9NO.Al/c21-20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16;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
InChIKeyCQPGOMARPOQURY-UHFFFAOYSA-K
MW612.67 g/mol
LogP9.89
Rot. Bonds7

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

bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-2-yl)oxyalumane (PubChem CID 58184653) 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-2-yl)oxyalumane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-2-yl)oxyalumane
PubChem CID58184653
Molecular FormulaC40H29AlN2O3
Molecular Weight612.67 g/mol
Exact Mass612.20
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-2-yl)oxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C20H14O.2C10H9NO.Al/c21-20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16;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
InChIKeyCQPGOMARPOQURY-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

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Related Compounds

Bis(8-hydroxy-2-methylquinoline)-(4-phenylphenoxy)aluminum
CID 24941210
2-[2-(9-Anthryl)vinyl]quinolin-8-ol
CID 129743056
2-((e)-2-Anthracen-9-ylvinyl)quinolin-8-ol
CID 140595995
2-Methyl-8-[[3-[(2-methylquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline
CID 76330866
Aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate
CID 23023294
Aluminum;4-(4-cyanophenyl)phenolate;bis(2-methyl-5-(trifluoromethyl)quinolin-8-olate)
CID 23135765
Bis[(2-methylquinolin-8-yl)oxy]-[3-(trifluoromethyl)phenoxy]alumane
CID 57806319
Bis[[2,4-dimethyl-6-(trifluoromethyl)quinolin-8-yl]oxy]-(2,6-diphenylphenoxy)alumane
CID 57806323
(2,6-Diphenylphenoxy)-bis[[2-methyl-6-(trifluoromethyl)quinolin-8-yl]oxy]alumane
CID 57806335
12-[4-[4-(Trifluoromethyl)phenyl]phenoxy]-11,13-dioxa-4,21-diaza-12-aluminapentacyclo[12.6.2.23,6.05,10.018,22]tetracosa-1(21),3,5,7,9,14,16,18(22),19,23-decaene
CID 57831693
[6-[3,5-Bis(trifluoromethyl)phenyl]naphthalen-2-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 57831695
[4-(4-Fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58251639

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-2-yl)oxyalumane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-2-yl)oxyalumane (CID 58184653) is bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-2-yl)oxyalumane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-2-yl)oxyalumane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-2-yl)oxyalumane is Cc1ccc2cccc(O[Al](Oc3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-2-yl)oxyalumane?
The InChIKey is CQPGOMARPOQURY-UHFFFAOYSA-K. The full InChI is InChI=1S/C20H14O.2C10H9NO.Al/c21-20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16;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-2-yl)oxyalumane?
bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-2-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-2-yl)oxyalumane is sourced from PubChem (CID 58184653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).