2,4,6-triphenylaniline

C24H19N — CID 629425

IUPAC2,4,6-triphenylaniline
SMILESNc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H19N/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h1-17H,25H2
InChIKeyAGWKGKUGJDMKMT-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.27
Rot. Bonds3

About 2,4,6-triphenylaniline

2,4,6-triphenylaniline (PubChem CID 629425) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 2,4,6-triphenylaniline.

Molecular Properties

Compound Name2,4,6-triphenylaniline
PubChem CID629425
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name2,4,6-triphenylaniline
SMILESNc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H19N/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h1-17H,25H2
InChIKeyAGWKGKUGJDMKMT-UHFFFAOYSA-N
XLogP6.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenylaniline?
The IUPAC name of 2,4,6-triphenylaniline (CID 629425) is 2,4,6-triphenylaniline.
What is the SMILES notation for 2,4,6-triphenylaniline?
The canonical SMILES for 2,4,6-triphenylaniline is Nc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2,4,6-triphenylaniline?
The InChIKey is AGWKGKUGJDMKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h1-17H,25H2.
What are the key properties of 2,4,6-triphenylaniline?
2,4,6-triphenylaniline has a molecular weight of 321.42 g/mol, XLogP of 6.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenylaniline is sourced from PubChem (CID 629425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).