bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane

C34H25GaN2O3S — CID 58825883

IUPACbis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane
SMILESCc1ccc2cccc(O[Ga](Oc3c(-c4ccccc4)sc4ccccc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C14H10OS.2C10H9NO.Ga/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,15H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyFVIPYNBGRNJXFP-UHFFFAOYSA-K
MW611.38 g/mol
LogP8.80
Rot. Bonds7

About bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane

bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane (PubChem CID 58825883) has the molecular formula C34H25GaN2O3S and a molecular weight of 611.38 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane
PubChem CID58825883
Molecular FormulaC34H25GaN2O3S
Molecular Weight611.38 g/mol
Exact Mass610.08
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane
SMILESCc1ccc2cccc(O[Ga](Oc3c(-c4ccccc4)sc4ccccc34)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C14H10OS.2C10H9NO.Ga/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,15H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyFVIPYNBGRNJXFP-UHFFFAOYSA-K
XLogP8.80
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.38
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane with MolForge

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Related Compounds

2-Methyl-8-[5-(2-methylquinolin-8-yl)oxydibenzotellurophen-5-yl]oxyquinoline
CID 134909128
Bis(2-methyl-8-quinolinolato) Molybdenum
CID 139054921
Iron(3+);tris(2-methylquinolin-8-olate)
CID 139058244
2,2-Bis(1-benzothiophen-2-yl)-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 139129272
2,2-Bis(1-benzothiophen-2-yl)-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 139129273
Copper;oxidanium;bis(2-methylquinolin-8-olate)
CID 168307754
Aquabis(2-methylquinolin-8-olato-kappa^2^N,O)zinc(II)
CID 168309101
4,8-bis(8-oxyquinolinato)-4,8-Dihydro-p-diborino[2,3-b:5,6-b']dithiophene
CID 168338856
Oxidanium;cobalt(2+);bis(2-methylquinolin-8-olate)
CID 168343129
2-[2-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]ethyl]quinolin-8-ol
CID 102524611
Ethoxytris(2-methyl-8-chinolineolato)titanium(IV)
CID 24202327
Tin, bis(2-butyl-8-quinolinolato)-
CID 16685852

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane (CID 58825883) is bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane is Cc1ccc2cccc(O[Ga](Oc3c(-c4ccccc4)sc4ccccc34)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane?
The InChIKey is FVIPYNBGRNJXFP-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H10OS.2C10H9NO.Ga/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,15H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane?
bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane has a molecular weight of 611.38 g/mol, XLogP of 8.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylquinolin-8-yl)oxy]-[(2-phenyl-1-benzothiophen-3-yl)oxy]gallane is sourced from PubChem (CID 58825883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).