4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole

C21H20Te — CID 169026311

IUPAC4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole
SMILESCc1ccc2c([te]c3cc4ccccc4cc32)c1C(C)(C)C
InChIInChI=1S/C21H20Te/c1-13-9-10-16-17-11-14-7-5-6-8-15(14)12-18(17)22-20(16)19(13)21(2,3)4/h5-12H,1-4H3
InChIKeyOWYRLENKFASXGF-UHFFFAOYSA-N
MW399.99 g/mol
LogP5.81
Rot. Bonds

About 4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole

4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole (PubChem CID 169026311) has the molecular formula C21H20Te and a molecular weight of 399.99 g/mol. Its IUPAC name is 4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole.

Molecular Properties

Compound Name4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole
PubChem CID169026311
Molecular FormulaC21H20Te
Molecular Weight399.99 g/mol
Exact Mass402.06
IUPAC Name4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole
SMILESCc1ccc2c([te]c3cc4ccccc4cc32)c1C(C)(C)C
InChIInChI=1S/C21H20Te/c1-13-9-10-16-17-11-14-7-5-6-8-15(14)12-18(17)22-20(16)19(13)21(2,3)4/h5-12H,1-4H3
InChIKeyOWYRLENKFASXGF-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.99
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole?
The IUPAC name of 4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole (CID 169026311) is 4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole.
What is the SMILES notation for 4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole?
The canonical SMILES for 4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole is Cc1ccc2c([te]c3cc4ccccc4cc32)c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole?
The InChIKey is OWYRLENKFASXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Te/c1-13-9-10-16-17-11-14-7-5-6-8-15(14)12-18(17)22-20(16)19(13)21(2,3)4/h5-12H,1-4H3.
What are the key properties of 4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole?
4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole has a molecular weight of 399.99 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methylnaphtho[2,3-b][1]benzotellurole is sourced from PubChem (CID 169026311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).