[2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane

C38H25F4GaN2O3 — CID 58825902

IUPAC[2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane
SMILESCc1ccc2cccc(O[Ga](Oc3c(-c4cc(F)cc(F)c4)cccc3-c3cc(F)cc(F)c3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C18H10F4O.2C10H9NO.Ga/c19-12-4-10(5-13(20)8-12)16-2-1-3-17(18(16)23)11-6-14(21)9-15(22)7-11;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,23H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyFWDNWPUXFVWZFH-UHFFFAOYSA-K
MW703.34 g/mol
LogP9.81
Rot. Bonds8

About [2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane

[2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane (PubChem CID 58825902) has the molecular formula C38H25F4GaN2O3 and a molecular weight of 703.34 g/mol. Its IUPAC name is [2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane.

Molecular Properties

Compound Name[2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane
PubChem CID58825902
Molecular FormulaC38H25F4GaN2O3
Molecular Weight703.34 g/mol
Exact Mass702.11
IUPAC Name[2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane
SMILESCc1ccc2cccc(O[Ga](Oc3c(-c4cc(F)cc(F)c4)cccc3-c3cc(F)cc(F)c3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C18H10F4O.2C10H9NO.Ga/c19-12-4-10(5-13(20)8-12)16-2-1-3-17(18(16)23)11-6-14(21)9-15(22)7-11;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,23H;2*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyFWDNWPUXFVWZFH-UHFFFAOYSA-K
XLogP9.81
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.34
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Zinc bis(2-methylquinolin-8-olate)
CID 67132017
Bis(8-hydroxy-2-methylquinoline)-(4-phenylphenoxy)aluminum
CID 24941210
(2R)-2-(2,3,4,5,6-pentafluorophenyl)-2-[[(2R)-2-(2,3,4,5,6-pentafluorophenyl)-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]oxy]-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 139151644
2,2'-(perfluoro-[1,1'-biphenyl]-2,2'-diyl)bis(2-([1,1'-biphenyl]-2-yl)-2H-2l4,3l4-[1,3,2]oxazaborolo[5,4,3-ij]quinoline)
CID 139173409
2,3,7,8-Tetrafluoro-5,10-bis(8-oxyquinolinato)-5,10-dihydroboranthrene
CID 168338855
Aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate
CID 23023294
Bis[(2-methylquinolin-8-yl)oxy]-[3-(trifluoromethyl)phenoxy]alumane
CID 57806319
Bis[[2,4-dimethyl-6-(trifluoromethyl)quinolin-8-yl]oxy]-(2,6-diphenylphenoxy)alumane
CID 57806323
(2,6-Diphenylphenoxy)-bis[[2-methyl-6-(trifluoromethyl)quinolin-8-yl]oxy]alumane
CID 57806335
12-[4-[4-(Trifluoromethyl)phenyl]phenoxy]-11,13-dioxa-4,21-diaza-12-aluminapentacyclo[12.6.2.23,6.05,10.018,22]tetracosa-1(21),3,5,7,9,14,16,18(22),19,23-decaene
CID 57831693
[6-[3,5-Bis(trifluoromethyl)phenyl]naphthalen-2-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 57831695
[4-(4-Fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58251639

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane?
The IUPAC name of [2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane (CID 58825902) is [2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane.
What is the SMILES notation for [2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane?
The canonical SMILES for [2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane is Cc1ccc2cccc(O[Ga](Oc3c(-c4cc(F)cc(F)c4)cccc3-c3cc(F)cc(F)c3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of [2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane?
The InChIKey is FWDNWPUXFVWZFH-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H10F4O.2C10H9NO.Ga/c19-12-4-10(5-13(20)8-12)16-2-1-3-17(18(16)23)11-6-14(21)9-15(22)7-11;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h1-9,23H;2*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of [2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane?
[2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane has a molecular weight of 703.34 g/mol, XLogP of 9.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(3,5-difluorophenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane is sourced from PubChem (CID 58825902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).