bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane

C32H25GaN2O3 — CID 20679832

IUPACbis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane
SMILESCc1ccc2cccc(O[Ga](Oc3ccc(-c4ccccc4)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C12H10O.2C10H9NO.Ga/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*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyHZJYNNIONPKLMJ-UHFFFAOYSA-K
MW555.29 g/mol
LogP7.59
Rot. Bonds7

About bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane

bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane (PubChem CID 20679832) has the molecular formula C32H25GaN2O3 and a molecular weight of 555.29 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane
PubChem CID20679832
Molecular FormulaC32H25GaN2O3
Molecular Weight555.29 g/mol
Exact Mass554.11
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane
SMILESCc1ccc2cccc(O[Ga](Oc3ccc(-c4ccccc4)cc3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C12H10O.2C10H9NO.Ga/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*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyHZJYNNIONPKLMJ-UHFFFAOYSA-K
XLogP7.59
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.29
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282
bis[(2-methylquinolin-8-yl)oxy]-(4-naphthalen-2-ylphenoxy)alumane
CID 58184871
O-(2-methylquinolin-8-yl) N-phenylcarbamothioate
CID 3418096
CID 159337647
CID 159337647
bis[(2,4-dimethylquinolin-8-yl)oxy]-(2,6-diphenylphenoxy)gallane;bis[(2,4-dimethylquinolin-8-yl)oxy]-(2-methyl-6-phenylphenoxy)gallane;(2-methyl-4-phenylnaphthalen-1-yl)oxy-bis[(2-methylquinolin-8-yl)oxy]gallane;(2-methylpropan-2-yl)oxy-bis[(2-methylquinolin-8-yl)oxy]gallane
CID 160868309
CID 20665518
CID 20665518
(2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane
CID 58004223
CID 158739664
CID 158739664
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
CID 23522312
CID 23522312
bis[(2-methylquinolin-8-yl)oxy]-(6-naphthalen-2-ylnaphthalen-1-yl)oxyalumane
CID 58965829
aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate
CID 22251246

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane (CID 20679832) is bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane is Cc1ccc2cccc(O[Ga](Oc3ccc(-c4ccccc4)cc3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane?
The InChIKey is HZJYNNIONPKLMJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H10O.2C10H9NO.Ga/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*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane?
bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane has a molecular weight of 555.29 g/mol, XLogP of 7.59, 7 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-phenylphenoxy)gallane is sourced from PubChem (CID 20679832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).