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

C27H16Cl6N3O5Tb — CID 71625723

IUPACtris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate
SMILESO.O.[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.[Tb+3]
InChIInChI=1S/3C9H5Cl2NO.2H2O.Tb/c3*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;;;/h3*1-4,13H;2*1H2;/q;;;;;+3/p-3
InChIKeyGIFDVPJBKHEMKA-UHFFFAOYSA-K
MW834.08 g/mol
LogP6.20
Rot. Bonds

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

tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate (PubChem CID 71625723) has the molecular formula C27H16Cl6N3O5Tb and a molecular weight of 834.08 g/mol. Its IUPAC name is tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate.

Molecular Properties

Compound Nametris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate
PubChem CID71625723
Molecular FormulaC27H16Cl6N3O5Tb
Molecular Weight834.08 g/mol
Exact Mass830.85
IUPAC Nametris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate
SMILESO.O.[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.[Tb+3]
InChIInChI=1S/3C9H5Cl2NO.2H2O.Tb/c3*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;;;/h3*1-4,13H;2*1H2;/q;;;;;+3/p-3
InChIKeyGIFDVPJBKHEMKA-UHFFFAOYSA-K
XLogP6.20
TPSA170.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.08
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tris(5,7-dichloroquinolin-8-olate);europium(3+)
CID 171040997
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
CID 6367063
CID 6367063
8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline
CID 100613714

Frequently Asked Questions

What is the IUPAC name of tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate?
The IUPAC name of tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate (CID 71625723) is tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate.
What is the SMILES notation for tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate?
The canonical SMILES for tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate is O.O.[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.[Tb+3].
What is the InChIKey of tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate?
The InChIKey is GIFDVPJBKHEMKA-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H5Cl2NO.2H2O.Tb/c3*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;;;/h3*1-4,13H;2*1H2;/q;;;;;+3/p-3.
What are the key properties of tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate?
tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate has a molecular weight of 834.08 g/mol, XLogP of 6.20, 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);terbium(3+);dihydrate is sourced from PubChem (CID 71625723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).