CAS 74-31-7|CAS 2315-68-6|1-N,4-N-diphenylbenzene-1,4-diamine|N1,N4-Diphenylbenzene-1,4-diamine|DFFD|N,N'-DIPHENYL-p-PHENYLENEDIAMINE|N,N'-Diphenyl-1,4-phenylenediamine|N,N′-Diphenyl-p-phenylenedia...

General Information

Structure

Molecular Formula

C₁₈H₁₆N₂

Molecular Mass

260.33304

Exact Mass

260.13134852

Charge

InChI

InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H

InChIKey

UTGQNNCQYDRXCH-UHFFFAOYSA-N

Canonic Smiles

c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1

Isomeric Smiles

c1(ccc(cc1)Nc1ccccc1)Nc1ccccc1

Calculated Properties

JChem

LogD (pH = 7.4)

4.85

LogD (pH = 5.5)

4.85

Log P

4.85

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

2.42

Polar Surface Area

24.06

Polarizability

29.94

Molar Refractivity

83.03

LOG S

-4.89

Data Source

Names and Identifiers

IUPAC name

1-N,4-N-diphenylbenzene-1,4-diamine N1,N4-diphenylbenzene-1,4-diamine

IUPAC Traditional name

DFFD

Synonyms

N1,N4-Diphenylbenzene-1,4-diamineN,N'-DIPHENYL-p-PHENYLENEDIAMINEN,N'-Diphenyl-1,4-phenylenediamineN,N′-二苯基-对苯二胺N,N′-Diphenyl-p-phenylenediamineN,N′-Diphenyl-1,4-phenylenediamineN,N′-二苯基-1,4-苯二胺N,N'-二苯基对苯二胺N,N'-Diphenyl-p-phenylenediamine4-phenylaminodiphenylamine1,4-dianilinobenzeneDPPDdiphenyl-p-phenylenediamine4,4'-diphenyl-p-phenylenediamineN,N'-diphenyl-1,4-diaminobenzene1,4-bis(phenylamino)benzeneN,N'-diphenyl-p-phenylenediamineN,N'-diphenyl-1,4-benzenediaminep-bis(phenylamino)benzeneN,N'-diphenyl-1,4-phenylenediaminep-phenylaminodiphenylamine

Names and Identifiers

Registration numbers

PubChem SID

2486702016203628224857574223442153

Beilstein Number

PubChem CID

MDL Number

CAS Number