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Diphenylbenzidine
CAS: 531-91-9 | C24H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
531-91-9
Molecular Formula:
C24H20N2
Molecular Mass:
336.44 g/mol
Names and Synonyms:
Diphenylbenzidine
[1,1′-Biphenyl]-4,4′-diamine, N4,N4′-diphenyl-
Benzidine, N,N′-diphenyl-
[1,1′-Biphenyl]-4,4′-diamine, N,N′-diphenyl-
N,N′-Diphenylbenzidine
Diphenylbenzidine
N,N′-Diphenyl-[1,1′-biphenyl]-4,4′-diamine
N,N′-Diphenyl-p,p′-biphenylenediamine
NSC 4310
4,4′-Bis(phenylamino)-1,1′-biphenyl
4,4′-Bis(phenylamino)biphenyl
Identifiers:
SMILES:
c1ccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)cc1
InChI:
InChI=1S/C24H20N2/c1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22/h1-18,25-26H
Key Properties
Melting Point
247 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 336.44 g/mol | CAS Common Chemistry |
| 336.43800000000005 g/mol | RDKit | |
| 336.16264864 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)NC=2C=CC(=CC2)C3=CC=C(C=C3)NC=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C24H20N2/c1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22/h1-18,25-26H | CAS Common Chemistry |
| InChI Key | InChIKey=FDRNXKXKFNHNCA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 247 °C | CAS Common Chemistry |
| Name | Diphenylbenzidine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | 6.840800000000004 | RDKit |
| Molar Refractivity | 111.32740000000001 | RDKit |
