benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate

C28H20Br2O4Te — CID 155557432

IUPACbenzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate
SMILESO=C(OCc1ccccc1)c1cc(Br)ccc1[Te]c1ccc(Br)cc1C(=O)OCc1ccccc1
InChIInChI=1S/C28H20Br2O4Te/c29-21-11-13-25(23(15-21)27(31)33-17-19-7-3-1-4-8-19)35-26-14-12-22(30)16-24(26)28(32)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyIPCLNIWZZIVZAF-UHFFFAOYSA-N
MW707.87 g/mol
LogP5.58
Rot. Bonds8

About benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate

benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate (PubChem CID 155557432) has the molecular formula C28H20Br2O4Te and a molecular weight of 707.87 g/mol. Its IUPAC name is benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate.

Molecular Properties

Compound Namebenzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate
PubChem CID155557432
Molecular FormulaC28H20Br2O4Te
Molecular Weight707.87 g/mol
Exact Mass707.88
IUPAC Namebenzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate
SMILESO=C(OCc1ccccc1)c1cc(Br)ccc1[Te]c1ccc(Br)cc1C(=O)OCc1ccccc1
InChIInChI=1S/C28H20Br2O4Te/c29-21-11-13-25(23(15-21)27(31)33-17-19-7-3-1-4-8-19)35-26-14-12-22(30)16-24(26)28(32)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyIPCLNIWZZIVZAF-UHFFFAOYSA-N
XLogP5.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.87
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate 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 benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate?
The IUPAC name of benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate (CID 155557432) is benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate.
What is the SMILES notation for benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate?
The canonical SMILES for benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate is O=C(OCc1ccccc1)c1cc(Br)ccc1[Te]c1ccc(Br)cc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate?
The InChIKey is IPCLNIWZZIVZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Br2O4Te/c29-21-11-13-25(23(15-21)27(31)33-17-19-7-3-1-4-8-19)35-26-14-12-22(30)16-24(26)28(32)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2.
What are the key properties of benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate?
benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate has a molecular weight of 707.87 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-bromo-2-(4-bromo-2-phenylmethoxycarbonylphenyl)tellanylbenzoate is sourced from PubChem (CID 155557432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).