6-tert-butyl-2-isocyano-7-methyldibenzotellurophene

C18H17NTe — CID 169026240

IUPAC6-tert-butyl-2-isocyano-7-methyldibenzotellurophene
SMILES[C-]#[N+]c1ccc2[te]c3c(C(C)(C)C)c(C)ccc3c2c1
InChIInChI=1S/C18H17NTe/c1-11-6-8-13-14-10-12(19-5)7-9-15(14)20-17(13)16(11)18(2,3)4/h6-10H,1-4H3
InChIKeyACGYKYOJEIDRSH-UHFFFAOYSA-N
MW374.94 g/mol
LogP5.21
Rot. Bonds

About 6-tert-butyl-2-isocyano-7-methyldibenzotellurophene

6-tert-butyl-2-isocyano-7-methyldibenzotellurophene (PubChem CID 169026240) has the molecular formula C18H17NTe and a molecular weight of 374.94 g/mol. Its IUPAC name is 6-tert-butyl-2-isocyano-7-methyldibenzotellurophene.

Molecular Properties

Compound Name6-tert-butyl-2-isocyano-7-methyldibenzotellurophene
PubChem CID169026240
Molecular FormulaC18H17NTe
Molecular Weight374.94 g/mol
Exact Mass377.04
IUPAC Name6-tert-butyl-2-isocyano-7-methyldibenzotellurophene
SMILES[C-]#[N+]c1ccc2[te]c3c(C(C)(C)C)c(C)ccc3c2c1
InChIInChI=1S/C18H17NTe/c1-11-6-8-13-14-10-12(19-5)7-9-15(14)20-17(13)16(11)18(2,3)4/h6-10H,1-4H3
InChIKeyACGYKYOJEIDRSH-UHFFFAOYSA-N
XLogP5.21
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.94
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-2-isocyano-7-methyldibenzotellurophene 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 6-tert-butyl-2-isocyano-7-methyldibenzotellurophene?
The IUPAC name of 6-tert-butyl-2-isocyano-7-methyldibenzotellurophene (CID 169026240) is 6-tert-butyl-2-isocyano-7-methyldibenzotellurophene.
What is the SMILES notation for 6-tert-butyl-2-isocyano-7-methyldibenzotellurophene?
The canonical SMILES for 6-tert-butyl-2-isocyano-7-methyldibenzotellurophene is [C-]#[N+]c1ccc2[te]c3c(C(C)(C)C)c(C)ccc3c2c1.
What is the InChIKey of 6-tert-butyl-2-isocyano-7-methyldibenzotellurophene?
The InChIKey is ACGYKYOJEIDRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NTe/c1-11-6-8-13-14-10-12(19-5)7-9-15(14)20-17(13)16(11)18(2,3)4/h6-10H,1-4H3.
What are the key properties of 6-tert-butyl-2-isocyano-7-methyldibenzotellurophene?
6-tert-butyl-2-isocyano-7-methyldibenzotellurophene has a molecular weight of 374.94 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-isocyano-7-methyldibenzotellurophene is sourced from PubChem (CID 169026240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).