tris(5,7-dichloroquinolin-8-olate);europium(3+)

C27H12Cl6EuN3O3 — CID 171040997

IUPACtris(5,7-dichloroquinolin-8-olate);europium(3+)
SMILES[Eu+3].[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/3C9H5Cl2NO.Eu/c3*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h3*1-4,13H;/q;;;+3/p-3
InChIKeyZLHDEPOVVYTJKJ-UHFFFAOYSA-K
MW791.09 g/mol
LogP7.85
Rot. Bonds

About tris(5,7-dichloroquinolin-8-olate);europium(3+)

tris(5,7-dichloroquinolin-8-olate);europium(3+) (PubChem CID 171040997) has the molecular formula C27H12Cl6EuN3O3 and a molecular weight of 791.09 g/mol. Its IUPAC name is tris(5,7-dichloroquinolin-8-olate);europium(3+).

Molecular Properties

Compound Nametris(5,7-dichloroquinolin-8-olate);europium(3+)
PubChem CID171040997
Molecular FormulaC27H12Cl6EuN3O3
Molecular Weight791.09 g/mol
Exact Mass788.82
IUPAC Nametris(5,7-dichloroquinolin-8-olate);europium(3+)
SMILES[Eu+3].[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/3C9H5Cl2NO.Eu/c3*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h3*1-4,13H;/q;;;+3/p-3
InChIKeyZLHDEPOVVYTJKJ-UHFFFAOYSA-K
XLogP7.85
TPSA107.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.09
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate
CID 71625723
bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+)
CID 10372141
5-chloro-7-iodoquinolin-8-olate
CID 149159528
cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)
CID 72708331
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
gallium tris((5-chloro-7-iodoquinolin-8-yl)oxidanium)
CID 4532978
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline
CID 100613714
5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114

Frequently Asked Questions

What is the IUPAC name of tris(5,7-dichloroquinolin-8-olate);europium(3+)?
The IUPAC name of tris(5,7-dichloroquinolin-8-olate);europium(3+) (CID 171040997) is tris(5,7-dichloroquinolin-8-olate);europium(3+).
What is the SMILES notation for tris(5,7-dichloroquinolin-8-olate);europium(3+)?
The canonical SMILES for tris(5,7-dichloroquinolin-8-olate);europium(3+) is [Eu+3].[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.
What is the InChIKey of tris(5,7-dichloroquinolin-8-olate);europium(3+)?
The InChIKey is ZLHDEPOVVYTJKJ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H5Cl2NO.Eu/c3*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h3*1-4,13H;/q;;;+3/p-3.
What are the key properties of tris(5,7-dichloroquinolin-8-olate);europium(3+)?
tris(5,7-dichloroquinolin-8-olate);europium(3+) has a molecular weight of 791.09 g/mol, XLogP of 7.85, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5,7-dichloroquinolin-8-olate);europium(3+) is sourced from PubChem (CID 171040997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).