cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)

C36H16CeCl4I4N4O4 — CID 72708331

IUPACcerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)
SMILES[Ce+4].[O-]c1c(I)cc(Cl)c2cccnc12.[O-]c1c(I)cc(Cl)c2cccnc12.[O-]c1c(I)cc(Cl)c2cccnc12.[O-]c1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/4C9H5ClINO.Ce/c4*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h4*1-4,13H;/q;;;;+4/p-4
InChIKeyNBUODCXBFXLXRW-UHFFFAOYSA-J
MW1358.09 g/mol
LogP10.27
Rot. Bonds

About cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)

cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate) (PubChem CID 72708331) has the molecular formula C36H16CeCl4I4N4O4 and a molecular weight of 1358.09 g/mol. Its IUPAC name is cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate).

Molecular Properties

Compound Namecerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)
PubChem CID72708331
Molecular FormulaC36H16CeCl4I4N4O4
Molecular Weight1358.09 g/mol
Exact Mass1355.52
IUPAC Namecerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)
SMILES[Ce+4].[O-]c1c(I)cc(Cl)c2cccnc12.[O-]c1c(I)cc(Cl)c2cccnc12.[O-]c1c(I)cc(Cl)c2cccnc12.[O-]c1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/4C9H5ClINO.Ce/c4*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h4*1-4,13H;/q;;;;+4/p-4
InChIKeyNBUODCXBFXLXRW-UHFFFAOYSA-J
XLogP10.27
TPSA143.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001358.09
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)?
The IUPAC name of cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate) (CID 72708331) is cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate).
What is the SMILES notation for cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)?
The canonical SMILES for cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate) is [Ce+4].[O-]c1c(I)cc(Cl)c2cccnc12.[O-]c1c(I)cc(Cl)c2cccnc12.[O-]c1c(I)cc(Cl)c2cccnc12.[O-]c1c(I)cc(Cl)c2cccnc12.
What is the InChIKey of cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)?
The InChIKey is NBUODCXBFXLXRW-UHFFFAOYSA-J. The full InChI is InChI=1S/4C9H5ClINO.Ce/c4*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h4*1-4,13H;/q;;;;+4/p-4.
What are the key properties of cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)?
cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate) has a molecular weight of 1358.09 g/mol, XLogP of 10.27, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate) is sourced from PubChem (CID 72708331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).