(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide

C28H24BNOTe — CID 139049870

IUPAC(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide
SMILESCc1cc(-c2ccccc2)[te][n+]1O[B-](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24BNOTe/c1-23-22-28(24-14-6-2-7-15-24)32-30(23)31-29(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-22H,1H3
InChIKeySQTDYPGTGKPGSA-UHFFFAOYSA-N
MW528.92 g/mol
LogP3.10
Rot. Bonds6

About (3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide

(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide (PubChem CID 139049870) has the molecular formula C28H24BNOTe and a molecular weight of 528.92 g/mol. Its IUPAC name is (3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide.

Molecular Properties

Compound Name(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide
PubChem CID139049870
Molecular FormulaC28H24BNOTe
Molecular Weight528.92 g/mol
Exact Mass531.10
IUPAC Name(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide
SMILESCc1cc(-c2ccccc2)[te][n+]1O[B-](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24BNOTe/c1-23-22-28(24-14-6-2-7-15-24)32-30(23)31-29(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-22H,1H3
InChIKeySQTDYPGTGKPGSA-UHFFFAOYSA-N
XLogP3.10
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.92
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide with MolForge

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

Launch Full Analysis

Related Compounds

Trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide
CID 139049869
3-Methyl-5-phenyl-1,2-tellurazole 2-oxide
CID 129892009

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide?
The IUPAC name of (3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide (CID 139049870) is (3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide.
What is the SMILES notation for (3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide?
The canonical SMILES for (3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide is Cc1cc(-c2ccccc2)[te][n+]1O[B-](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide?
The InChIKey is SQTDYPGTGKPGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BNOTe/c1-23-22-28(24-14-6-2-7-15-24)32-30(23)31-29(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-22H,1H3.
What are the key properties of (3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide?
(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide has a molecular weight of 528.92 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide is sourced from PubChem (CID 139049870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).