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N,N′-Diphenyl-N,N-Bis(3-Methylphenyl)-1,1′-Biphenyl-4,4′-Diamine
CAS: 65181-78-4 | C38H32N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
65181-78-4
Molecular Formula:
C38H32N2
Molecular Mass:
516.69 g/mol
Names and Synonyms:
N,N′-Diphenyl-N,N-Bis(3-Methylphenyl)-1,1′-Biphenyl-4,4′-Diamine
[1,1′-Biphenyl]-4,4′-diamine, N4,N4′-bis(3-methylphenyl)-N4,N4′-diphenyl-
[1,1′-Biphenyl]-4,4′-diamine, N,N′-bis(3-methylphenyl)-N,N′-diphenyl-
N,N′-Bis(3-methylphenyl)-N,N′-diphenyl[1,1′-biphenyl]-4,4′-diamine
N,N′-Diphenyl-N,N′-bis(3-methylphenyl)[1,1′-biphenyl]-4,4′-diamine
N,N′-Diphenyl-N,N′-bis(m-tolyl)[1,1′-biphenyl]-4,4′-diamine
4,4′-Bis[N-(3-methylphenyl)-N-phenylamino]biphenyl
4,4′-Bis[N-phenyl-N-(3-methylphenyl)amino]diphenyl
TPD (photoreceptor)
TPD
N,N′-Diphenyl-N,N′-di(3-methylphenyl)benzidine
N,N′-Diphenyl-N,N′-bis(3-methylphenyl)[1,1′-bisphenyl]-4,4′-diamine
N,N′-Diphenyl-N,N′-di(3-methylphenyl)-4,4′-diaminobiphenyl
N,N′-Diphenyl-N,N′-bis(3-methylphenyl)benzidine
N,N′-Diphenyl-N,N′-bis(m-tolyl)benzidine
N,N′-Diphenyl-N,N′-di(m-tolyl)benzidine
N,N′-Bis(3-methylphenyl)-N,N′-diphenylbenzidine
N,N′-Diphenyl-N,N′-bis(3-methylphenyl)-1,1′-diphenyl-4,4′-diamine
N,N′-Diphenyl-N,N′-bis(3-methylphenyl)-p-benzidine
N,N′-Diphenyl-N,N′-di-m-tolylbiphenyl-4,4′-diamine
ELA 4021
N,N′-Diphenyl-N,N-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine
ST 16/1.2
N 50
N,N′-Diphenyl-N,N′-bis(3-methylphenyl)-1,1-biphenyl-4,4′-diamine
D 2448
3-Methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
Identifiers:
SMILES:
Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1
InChI:
InChI=1S/C38H32N2/c1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38/h3-28H,1-2H3
Key Properties
Melting Point
169.1 °C
CAS Common Chemistry
Density
1.37 g/cm³
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 | 516.69 g/mol | CAS Common Chemistry |
| 516.6880000000002 g/mol | RDKit | |
| 516.256549024 g/mol | RDKit | |
| Density | 1.37 g/cm³ | CAS Common Chemistry |
| 1.37 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | C=1C=CC(=CC1)N(C2=CC=C(C=C2)C=3C=CC(=CC3)N(C=4C=CC=CC4)C5=CC=CC(=C5)C)C6=CC=CC(=C6)C | CAS Common Chemistry |
| InChI | InChI=1S/C38H32N2/c1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38/h3-28H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OGGKVJMNFFSDEV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 169.1 °C | CAS Common Chemistry |
| Name | N,N′-Diphenyl-N,N-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine | CAS Common Chemistry |
| Heavy Atom Count | 40 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 10.910039999999988 | RDKit |
| Molar Refractivity | 170.71799999999953 | RDKit |
