N,4-diphenylaniline

C18H15N — CID 13087229

IUPACN,4-diphenylaniline
SMILESc1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H15N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-14,19H
InChIKeyYGNUPJXMDOFFDO-UHFFFAOYSA-N
MW245.33 g/mol
LogP5.10
Rot. Bonds3

About N,4-diphenylaniline

N,4-diphenylaniline (PubChem CID 13087229) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is N,4-diphenylaniline.

Molecular Properties

Compound NameN,4-diphenylaniline
PubChem CID13087229
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC NameN,4-diphenylaniline
SMILESc1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H15N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-14,19H
InChIKeyYGNUPJXMDOFFDO-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.33
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4-diphenylaniline?
The IUPAC name of N,4-diphenylaniline (CID 13087229) is N,4-diphenylaniline.
What is the SMILES notation for N,4-diphenylaniline?
The canonical SMILES for N,4-diphenylaniline is c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N,4-diphenylaniline?
The InChIKey is YGNUPJXMDOFFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-14,19H.
What are the key properties of N,4-diphenylaniline?
N,4-diphenylaniline has a molecular weight of 245.33 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenylaniline is sourced from PubChem (CID 13087229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).