2,6-diphenylaniline

C18H15N — CID 11010226

IUPAC2,6-diphenylaniline
SMILESNc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C18H15N/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13H,19H2
InChIKeyDSQMLISBVUTWJB-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.60
Rot. Bonds2

About 2,6-diphenylaniline

2,6-diphenylaniline (PubChem CID 11010226) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is 2,6-diphenylaniline.

Molecular Properties

Compound Name2,6-diphenylaniline
PubChem CID11010226
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC Name2,6-diphenylaniline
SMILESNc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C18H15N/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13H,19H2
InChIKeyDSQMLISBVUTWJB-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.60
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 2,6-diphenylaniline?
The IUPAC name of 2,6-diphenylaniline (CID 11010226) is 2,6-diphenylaniline.
What is the SMILES notation for 2,6-diphenylaniline?
The canonical SMILES for 2,6-diphenylaniline is Nc1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 2,6-diphenylaniline?
The InChIKey is DSQMLISBVUTWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13H,19H2.
What are the key properties of 2,6-diphenylaniline?
2,6-diphenylaniline has a molecular weight of 245.33 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenylaniline is sourced from PubChem (CID 11010226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).