(2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane

C32H27AlN2O3 — CID 58004223

IUPAC(2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane
SMILESCC1=Nc2c(cccc2O[Al](Oc2ccc(-c3ccccc3)cc2)Oc2cccc3ccc(C)nc23)CC1
InChIInChI=1S/C12H10O.C10H11NO.C10H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,13H;2-4,12H,5-6H2,1H3;2-6,12H,1H3;/q;;;+3/p-3
InChIKeyFVYGBBOAZBZROS-UHFFFAOYSA-K
MW514.56 g/mol
LogP7.77
Rot. Bonds7

About (2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane

(2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane (PubChem CID 58004223) has the molecular formula C32H27AlN2O3 and a molecular weight of 514.56 g/mol. Its IUPAC name is (2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane.

Molecular Properties

Compound Name(2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane
PubChem CID58004223
Molecular FormulaC32H27AlN2O3
Molecular Weight514.56 g/mol
Exact Mass514.18
IUPAC Name(2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane
SMILESCC1=Nc2c(cccc2O[Al](Oc2ccc(-c3ccccc3)cc2)Oc2cccc3ccc(C)nc23)CC1
InChIInChI=1S/C12H10O.C10H11NO.C10H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,13H;2-4,12H,5-6H2,1H3;2-6,12H,1H3;/q;;;+3/p-3
InChIKeyFVYGBBOAZBZROS-UHFFFAOYSA-K
XLogP7.77
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.56
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane 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]-(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
(2,6-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
bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane
CID 20679832
[4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58965815
CID 159337647
CID 159337647
CID 158739664
CID 158739664
CID 20665518
CID 20665518
3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol
CID 174989635
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane?
The IUPAC name of (2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane (CID 58004223) is (2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane.
What is the SMILES notation for (2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane?
The canonical SMILES for (2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane is CC1=Nc2c(cccc2O[Al](Oc2ccc(-c3ccccc3)cc2)Oc2cccc3ccc(C)nc23)CC1.
What is the InChIKey of (2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane?
The InChIKey is FVYGBBOAZBZROS-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H10O.C10H11NO.C10H9NO.Al/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,13H;2-4,12H,5-6H2,1H3;2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of (2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane?
(2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane has a molecular weight of 514.56 g/mol, XLogP of 7.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane is sourced from PubChem (CID 58004223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).