4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione

C14H15Cl4NO2Pb — CID 16683433

IUPAC4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione
SMILESCC[Pb](CC)(CC)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C8HCl4NO2.3C2H5.Pb/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11;3*1-2;/h(H,13,14,15);3*1H2,2H3;/q;;;;+1/p-1
InChIKeyXUXGRXGVJMDOCG-UHFFFAOYSA-M
MW578.29 g/mol
LogP5.90
Rot. Bonds4

About 4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione

4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione (PubChem CID 16683433) has the molecular formula C14H15Cl4NO2Pb and a molecular weight of 578.29 g/mol. Its IUPAC name is 4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione.

Molecular Properties

Compound Name4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione
PubChem CID16683433
Molecular FormulaC14H15Cl4NO2Pb
Molecular Weight578.29 g/mol
Exact Mass576.96
IUPAC Name4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione
SMILESCC[Pb](CC)(CC)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C8HCl4NO2.3C2H5.Pb/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11;3*1-2;/h(H,13,14,15);3*1H2,2H3;/q;;;;+1/p-1
InChIKeyXUXGRXGVJMDOCG-UHFFFAOYSA-M
XLogP5.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.29
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione?
The IUPAC name of 4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione (CID 16683433) is 4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione.
What is the SMILES notation for 4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione?
The canonical SMILES for 4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione is CC[Pb](CC)(CC)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.
What is the InChIKey of 4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione?
The InChIKey is XUXGRXGVJMDOCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8HCl4NO2.3C2H5.Pb/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11;3*1-2;/h(H,13,14,15);3*1H2,2H3;/q;;;;+1/p-1.
What are the key properties of 4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione?
4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione has a molecular weight of 578.29 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrachloro-2-triethylplumbylisoindole-1,3-dione is sourced from PubChem (CID 16683433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).