bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium

C26H30ITe+ — CID 171726684

IUPACbis(4-tert-butylphenyl)-(4-iodophenyl)tellanium
SMILESCC(C)(C)c1ccc([Te+](c2ccc(I)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H30ITe/c1-25(2,3)19-7-13-22(14-8-19)28(24-17-11-21(27)12-18-24)23-15-9-20(10-16-23)26(4,5)6/h7-18H,1-6H3/q+1
InChIKeyNIYGXDFLDVMFKH-UHFFFAOYSA-N
MW597.03 g/mol
LogP5.40
Rot. Bonds3

About bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium

bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium (PubChem CID 171726684) has the molecular formula C26H30ITe+ and a molecular weight of 597.03 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium.

Molecular Properties

Compound Namebis(4-tert-butylphenyl)-(4-iodophenyl)tellanium
PubChem CID171726684
Molecular FormulaC26H30ITe+
Molecular Weight597.03 g/mol
Exact Mass599.04
IUPAC Namebis(4-tert-butylphenyl)-(4-iodophenyl)tellanium
SMILESCC(C)(C)c1ccc([Te+](c2ccc(I)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H30ITe/c1-25(2,3)19-7-13-22(14-8-19)28(24-17-11-21(27)12-18-24)23-15-9-20(10-16-23)26(4,5)6/h7-18H,1-6H3/q+1
InChIKeyNIYGXDFLDVMFKH-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.03
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium?
The IUPAC name of bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium (CID 171726684) is bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium.
What is the SMILES notation for bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium?
The canonical SMILES for bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium is CC(C)(C)c1ccc([Te+](c2ccc(I)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium?
The InChIKey is NIYGXDFLDVMFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ITe/c1-25(2,3)19-7-13-22(14-8-19)28(24-17-11-21(27)12-18-24)23-15-9-20(10-16-23)26(4,5)6/h7-18H,1-6H3/q+1.
What are the key properties of bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium?
bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium has a molecular weight of 597.03 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium is sourced from PubChem (CID 171726684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).