3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane

C18H22N2O2Te2 — CID 15908643

IUPAC3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane
SMILESCOc1ccc(N2C[Te]CN(c3ccc(OC)cc3)C[Te]C2)cc1
InChIInChI=1S/C18H22N2O2Te2/c1-21-17-7-3-15(4-8-17)19-11-23-13-20(14-24-12-19)16-5-9-18(22-2)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyWLJUXCWATIXQOY-UHFFFAOYSA-N
MW553.59 g/mol
LogP2.27
Rot. Bonds4

About 3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane

3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane (PubChem CID 15908643) has the molecular formula C18H22N2O2Te2 and a molecular weight of 553.59 g/mol. Its IUPAC name is 3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane.

Molecular Properties

Compound Name3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane
PubChem CID15908643
Molecular FormulaC18H22N2O2Te2
Molecular Weight553.59 g/mol
Exact Mass557.98
IUPAC Name3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane
SMILESCOc1ccc(N2C[Te]CN(c3ccc(OC)cc3)C[Te]C2)cc1
InChIInChI=1S/C18H22N2O2Te2/c1-21-17-7-3-15(4-8-17)19-11-23-13-20(14-24-12-19)16-5-9-18(22-2)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyWLJUXCWATIXQOY-UHFFFAOYSA-N
XLogP2.27
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.59
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane?
The IUPAC name of 3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane (CID 15908643) is 3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane.
What is the SMILES notation for 3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane?
The canonical SMILES for 3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane is COc1ccc(N2C[Te]CN(c3ccc(OC)cc3)C[Te]C2)cc1.
What is the InChIKey of 3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane?
The InChIKey is WLJUXCWATIXQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2Te2/c1-21-17-7-3-15(4-8-17)19-11-23-13-20(14-24-12-19)16-5-9-18(22-2)10-6-16/h3-10H,11-14H2,1-2H3.
What are the key properties of 3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane?
3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane has a molecular weight of 553.59 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane is sourced from PubChem (CID 15908643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).