N,N-diphenylaniline

C18H15N — CID 11775

IUPACN,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyODHXBMXNKOYIBV-UHFFFAOYSA-N
MW245.33 g/mol
LogP5.16
Rot. Bonds3

About N,N-diphenylaniline

N,N-diphenylaniline (PubChem CID 11775) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is N,N-diphenylaniline.

Molecular Properties

Compound NameN,N-diphenylaniline
PubChem CID11775
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC NameN,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyODHXBMXNKOYIBV-UHFFFAOYSA-N
XLogP5.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.33
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diphenylamine
CID 11487
N,N-Dimethylaniline
CID 949
N,N'-Diphenyl-P-Phenylenediamine
CID 6319
N-Phenyl-p-phenylenediamine
CID 7564
N-Nitrosodiphenylamine
CID 6838
N,N-Diethylaniline
CID 7061
Diphenylformamide
CID 69081
N,N-Diphenylhydrazine
CID 10739
4-Benzeneazodiphenylamine
CID 7575
p-Aminodiphenylamine HCl
CID 75146
4,4'-Diaminodiphenylamine
CID 10841
Tris(4-bromophenyl)amine
CID 258027

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylaniline?
The IUPAC name of N,N-diphenylaniline (CID 11775) is N,N-diphenylaniline.
What is the SMILES notation for N,N-diphenylaniline?
The canonical SMILES for N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenylaniline?
The InChIKey is ODHXBMXNKOYIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of N,N-diphenylaniline?
N,N-diphenylaniline has a molecular weight of 245.33 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylaniline is sourced from PubChem (CID 11775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).