bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane

C40H32Ga2N4O5 — CID 23534575

IUPACbis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane
SMILESCc1ccc2cccc(O[Ga](Oc3cccc4ccc(C)nc34)O[Ga](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/4C10H9NO.2Ga.O/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;/h4*2-6,12H,1H3;;;/q;;;;2*+2;/p-4
InChIKeyDGXHKWWLOAJZFM-UHFFFAOYSA-J
MW788.17 g/mol
LogP8.72
Rot. Bonds10

About bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane

bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane (PubChem CID 23534575) has the molecular formula C40H32Ga2N4O5 and a molecular weight of 788.17 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane
PubChem CID23534575
Molecular FormulaC40H32Ga2N4O5
Molecular Weight788.17 g/mol
Exact Mass786.09
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane
SMILESCc1ccc2cccc(O[Ga](Oc3cccc4ccc(C)nc34)O[Ga](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/4C10H9NO.2Ga.O/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;/h4*2-6,12H,1H3;;;/q;;;;2*+2;/p-4
InChIKeyDGXHKWWLOAJZFM-UHFFFAOYSA-J
XLogP8.72
TPSA97.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.17
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane (CID 23534575) is bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane is Cc1ccc2cccc(O[Ga](Oc3cccc4ccc(C)nc34)O[Ga](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane?
The InChIKey is DGXHKWWLOAJZFM-UHFFFAOYSA-J. The full InChI is InChI=1S/4C10H9NO.2Ga.O/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;/h4*2-6,12H,1H3;;;/q;;;;2*+2;/p-4.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane?
bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane has a molecular weight of 788.17 g/mol, XLogP of 8.72, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane is sourced from PubChem (CID 23534575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).