cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane

C26H23GaN2O3 — CID 20617966

IUPACcyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane
SMILESCc1ccc2cccc(O[Ga](OC3=CC=CCC3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/2C10H9NO.C6H8O.Ga/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;7-6-4-2-1-3-5-6;/h2*2-6,12H,1H3;1-2,4,7H,3,5H2;/q;;;+3/p-3
InChIKeyBRDNSIGGYUKCKA-UHFFFAOYSA-K
MW481.20 g/mol
LogP6.09
Rot. Bonds6

About cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane

cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane (PubChem CID 20617966) has the molecular formula C26H23GaN2O3 and a molecular weight of 481.20 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane
PubChem CID20617966
Molecular FormulaC26H23GaN2O3
Molecular Weight481.20 g/mol
Exact Mass480.10
IUPAC Namecyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane
SMILESCc1ccc2cccc(O[Ga](OC3=CC=CCC3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/2C10H9NO.C6H8O.Ga/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;7-6-4-2-1-3-5-6;/h2*2-6,12H,1H3;1-2,4,7H,3,5H2;/q;;;+3/p-3
InChIKeyBRDNSIGGYUKCKA-UHFFFAOYSA-K
XLogP6.09
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.20
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Oxine-copper
CID 3032555
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
Cunilate
CID 56840841
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
2-[(E)-2-(3-hydroxyphenyl)ethenyl]quinolin-8-ol
CID 5837141
4-Methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-6-ol
CID 44366636
Bis(quinolin-8-olato-N1,O8)nickel
CID 84198
Gallium 8-hydroxyquinolinate
CID 16686135
Lithium tetra(2-methyl-8-hydroxyquinolinato)boron
CID 23714786
Zinc oxyquinolate
CID 84127

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane?
The IUPAC name of cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane (CID 20617966) is cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane.
What is the SMILES notation for cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane?
The canonical SMILES for cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane is Cc1ccc2cccc(O[Ga](OC3=CC=CCC3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane?
The InChIKey is BRDNSIGGYUKCKA-UHFFFAOYSA-K. The full InChI is InChI=1S/2C10H9NO.C6H8O.Ga/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;7-6-4-2-1-3-5-6;/h2*2-6,12H,1H3;1-2,4,7H,3,5H2;/q;;;+3/p-3.
What are the key properties of cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane?
cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane has a molecular weight of 481.20 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane is sourced from PubChem (CID 20617966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).