1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine

C24H22N2O2S — CID 22976759

IUPAC1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine
SMILESc1ccc(C(NNCOOc2cccs2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O2S/c1-4-11-20(12-5-1)24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)26-25-19-27-28-23-17-10-18-29-23/h1-18,25-26H,19H2
InChIKeyDVQBNXVQYLRKSE-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.10
Rot. Bonds9

About 1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine

1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine (PubChem CID 22976759) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine.

Molecular Properties

Compound Name1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine
PubChem CID22976759
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine
SMILESc1ccc(C(NNCOOc2cccs2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O2S/c1-4-11-20(12-5-1)24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)26-25-19-27-28-23-17-10-18-29-23/h1-18,25-26H,19H2
InChIKeyDVQBNXVQYLRKSE-UHFFFAOYSA-N
XLogP5.10
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine 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 1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine?
The IUPAC name of 1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine (CID 22976759) is 1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine.
What is the SMILES notation for 1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine?
The canonical SMILES for 1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine is c1ccc(C(NNCOOc2cccs2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine?
The InChIKey is DVQBNXVQYLRKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-4-11-20(12-5-1)24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)26-25-19-27-28-23-17-10-18-29-23/h1-18,25-26H,19H2.
What are the key properties of 1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine?
1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine has a molecular weight of 402.52 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine is sourced from PubChem (CID 22976759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).