1-tritylpyrrolidine

C23H23N — CID 15372343

IUPAC1-tritylpyrrolidine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C23H23N/c1-4-12-20(13-5-1)23(24-18-10-11-19-24,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2
InChIKeyDVFDHIZVAQOEMX-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.07
Rot. Bonds4

About 1-tritylpyrrolidine

1-tritylpyrrolidine (PubChem CID 15372343) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-tritylpyrrolidine.

Molecular Properties

Compound Name1-tritylpyrrolidine
PubChem CID15372343
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name1-tritylpyrrolidine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C23H23N/c1-4-12-20(13-5-1)23(24-18-10-11-19-24,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2
InChIKeyDVFDHIZVAQOEMX-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-tritylpyrrolidine 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-tritylpyrrolidine?
The IUPAC name of 1-tritylpyrrolidine (CID 15372343) is 1-tritylpyrrolidine.
What is the SMILES notation for 1-tritylpyrrolidine?
The canonical SMILES for 1-tritylpyrrolidine is c1ccc(C(c2ccccc2)(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 1-tritylpyrrolidine?
The InChIKey is DVFDHIZVAQOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-4-12-20(13-5-1)23(24-18-10-11-19-24,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2.
What are the key properties of 1-tritylpyrrolidine?
1-tritylpyrrolidine has a molecular weight of 313.44 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritylpyrrolidine is sourced from PubChem (CID 15372343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).