bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane

C46H33AlN2O3 — CID 58251644

IUPACbis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C26H18O.2C10H9NO.Al/c27-26-16-15-23(24-7-3-4-8-25(24)26)20-12-9-19(10-13-20)22-14-11-18-5-1-2-6-21(18)17-22;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-17,27H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyASZMGYPVZQCHPG-UHFFFAOYSA-K
MW688.76 g/mol
LogP11.56
Rot. Bonds8

About bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane

bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane (PubChem CID 58251644) has the molecular formula C46H33AlN2O3 and a molecular weight of 688.76 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane
PubChem CID58251644
Molecular FormulaC46H33AlN2O3
Molecular Weight688.76 g/mol
Exact Mass688.23
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C26H18O.2C10H9NO.Al/c27-26-16-15-23(24-7-3-4-8-25(24)26)20-12-9-19(10-13-20)22-14-11-18-5-1-2-6-21(18)17-22;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-17,27H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyASZMGYPVZQCHPG-UHFFFAOYSA-K
XLogP11.56
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.76
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane with MolForge

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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-naphthalen-2-ylphenoxy)alumane
CID 58184871
[4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58965815
(2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 140659197
(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
bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane
CID 20679832
2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 171419180
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 164975629
CID 158943058
CID 158943058
2-naphthalen-2-yl-6-(4-naphthalen-1-yloxyphenyl)naphthalene
CID 71004721

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane (CID 58251644) is bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane is Cc1ccc2cccc(O[Al](Oc3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane?
The InChIKey is ASZMGYPVZQCHPG-UHFFFAOYSA-K. The full InChI is InChI=1S/C26H18O.2C10H9NO.Al/c27-26-16-15-23(24-7-3-4-8-25(24)26)20-12-9-19(10-13-20)22-14-11-18-5-1-2-6-21(18)17-22;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-17,27H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane?
bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane has a molecular weight of 688.76 g/mol, XLogP of 11.56, 8 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-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane is sourced from PubChem (CID 58251644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).