[4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane

C37H29AlN2O3 — CID 58965815

IUPAC[4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccccc4C)c4ccccc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C17H14O.2C10H9NO.Al/c1-12-6-2-3-7-13(12)15-10-11-17(18)16-9-5-4-8-14(15)16;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h2-11,18H,1H3;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyPQVHOKUUFNUQTF-UHFFFAOYSA-K
MW576.63 g/mol
LogP9.05
Rot. Bonds7

About [4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane

[4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane (PubChem CID 58965815) has the molecular formula C37H29AlN2O3 and a molecular weight of 576.63 g/mol. Its IUPAC name is [4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Name[4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
PubChem CID58965815
Molecular FormulaC37H29AlN2O3
Molecular Weight576.63 g/mol
Exact Mass576.20
IUPAC Name[4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc(-c4ccccc4C)c4ccccc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C17H14O.2C10H9NO.Al/c1-12-6-2-3-7-13(12)15-10-11-17(18)16-9-5-4-8-14(15)16;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h2-11,18H,1H3;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyPQVHOKUUFNUQTF-UHFFFAOYSA-K
XLogP9.05
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.63
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
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
CID 20665518
CID 20665518
(2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane
CID 58004223
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282
(2-methylquinolin-8-yl) 2-methylbenzenesulfonate
CID 2280505
8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
CID 2934693
2-methyl-5-(2-methylquinolin-8-yl)oxyquinolin-8-ol
CID 143770480
(2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane
CID 59133464
tri(phenanthridin-4-yloxy)alumane
CID 24943485

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane?
The IUPAC name of [4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane (CID 58965815) is [4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for [4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane?
The canonical SMILES for [4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane is Cc1ccc2cccc(O[Al](Oc3ccc(-c4ccccc4C)c4ccccc34)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of [4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane?
The InChIKey is PQVHOKUUFNUQTF-UHFFFAOYSA-K. The full InChI is InChI=1S/C17H14O.2C10H9NO.Al/c1-12-6-2-3-7-13(12)15-10-11-17(18)16-9-5-4-8-14(15)16;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h2-11,18H,1H3;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of [4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane?
[4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane has a molecular weight of 576.63 g/mol, XLogP of 9.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 58965815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).