3-benzyl-1,2,2-triphenylaziridine

C27H23N — CID 101476269

IUPAC3-benzyl-1,2,2-triphenylaziridine
SMILESc1ccc(CC2N(c3ccccc3)C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23N/c1-5-13-22(14-6-1)21-26-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)28(26)25-19-11-4-12-20-25/h1-20,26H,21H2
InChIKeyDCKPAYXGTSNTIR-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.06
Rot. Bonds5

About 3-benzyl-1,2,2-triphenylaziridine

3-benzyl-1,2,2-triphenylaziridine (PubChem CID 101476269) has the molecular formula C27H23N and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-benzyl-1,2,2-triphenylaziridine.

Molecular Properties

Compound Name3-benzyl-1,2,2-triphenylaziridine
PubChem CID101476269
Molecular FormulaC27H23N
Molecular Weight361.49 g/mol
Exact Mass361.18
IUPAC Name3-benzyl-1,2,2-triphenylaziridine
SMILESc1ccc(CC2N(c3ccccc3)C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23N/c1-5-13-22(14-6-1)21-26-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)28(26)25-19-11-4-12-20-25/h1-20,26H,21H2
InChIKeyDCKPAYXGTSNTIR-UHFFFAOYSA-N
XLogP6.06
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-benzyl-1,2,2-triphenylaziridine 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 3-benzyl-1,2,2-triphenylaziridine?
The IUPAC name of 3-benzyl-1,2,2-triphenylaziridine (CID 101476269) is 3-benzyl-1,2,2-triphenylaziridine.
What is the SMILES notation for 3-benzyl-1,2,2-triphenylaziridine?
The canonical SMILES for 3-benzyl-1,2,2-triphenylaziridine is c1ccc(CC2N(c3ccccc3)C2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-benzyl-1,2,2-triphenylaziridine?
The InChIKey is DCKPAYXGTSNTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N/c1-5-13-22(14-6-1)21-26-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)28(26)25-19-11-4-12-20-25/h1-20,26H,21H2.
What are the key properties of 3-benzyl-1,2,2-triphenylaziridine?
3-benzyl-1,2,2-triphenylaziridine has a molecular weight of 361.49 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,2,2-triphenylaziridine is sourced from PubChem (CID 101476269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).