bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane

C92H75AlGa3N9O12 — CID 159426246

IUPACbis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane
SMILESCC(=O)O[Ga](Oc1cccc2ccc(C)nc12)Oc1cccc2ccc(C)nc12.Cc1ccc2cccc(O[Ga](Oc3cccc4ccc(C)nc34)O[Ga](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)c2n1.Cc1ccnc2c(O[Al](Oc3cccc4c(C)ccnc34)Oc3cccc4c(C)ccnc34)cccc12
InChIInChI=1S/9C10H9NO.C2H4O2.Al.3Ga.O/c3*1-7-5-6-11-10-8(7)3-2-4-9(10)12;6*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-2(3)4;;;;;/h9*2-6,12H,1H3;1H3,(H,3,4);;;;;/q;;;;;;;;;;+3;2*+2;+3;/p-10
InChIKeyLQJVGDLXWZKKHT-UHFFFAOYSA-D
MW1734.81 g/mol
LogP19.90
Rot. Bonds21

About bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane

bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane (PubChem CID 159426246) has the molecular formula C92H75AlGa3N9O12 and a molecular weight of 1734.81 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane
PubChem CID159426246
Molecular FormulaC92H75AlGa3N9O12
Molecular Weight1734.81 g/mol
Exact Mass1731.31
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane
SMILESCC(=O)O[Ga](Oc1cccc2ccc(C)nc12)Oc1cccc2ccc(C)nc12.Cc1ccc2cccc(O[Ga](Oc3cccc4ccc(C)nc34)O[Ga](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)c2n1.Cc1ccnc2c(O[Al](Oc3cccc4c(C)ccnc34)Oc3cccc4c(C)ccnc34)cccc12
InChIInChI=1S/9C10H9NO.C2H4O2.Al.3Ga.O/c3*1-7-5-6-11-10-8(7)3-2-4-9(10)12;6*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-2(3)4;;;;;/h9*2-6,12H,1H3;1H3,(H,3,4);;;;;/q;;;;;;;;;;+3;2*+2;+3;/p-10
InChIKeyLQJVGDLXWZKKHT-UHFFFAOYSA-D
XLogP19.90
TPSA234.61 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001734.81
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane (CID 159426246) is bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane is CC(=O)O[Ga](Oc1cccc2ccc(C)nc12)Oc1cccc2ccc(C)nc12.Cc1ccc2cccc(O[Ga](Oc3cccc4ccc(C)nc34)O[Ga](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)c2n1.Cc1ccnc2c(O[Al](Oc3cccc4c(C)ccnc34)Oc3cccc4c(C)ccnc34)cccc12.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane?
The InChIKey is LQJVGDLXWZKKHT-UHFFFAOYSA-D. The full InChI is InChI=1S/9C10H9NO.C2H4O2.Al.3Ga.O/c3*1-7-5-6-11-10-8(7)3-2-4-9(10)12;6*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-2(3)4;;;;;/h9*2-6,12H,1H3;1H3,(H,3,4);;;;;/q;;;;;;;;;;+3;2*+2;+3;/p-10.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane?
bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane has a molecular weight of 1734.81 g/mol, XLogP of 19.90, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylquinolin-8-yl)oxy]gallanyl acetate;bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;tris[(4-methylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 159426246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).