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Molecule

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

Identifiers

CAS Registry Number

65181-78-4

SMILES

Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1

InChI Key

OGGKVJMNFFSDEV-UHFFFAOYSA-N

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

Names and Synonyms

  • N,N′-Diphenyl-N,N-Bis(3-Methylphenyl)-1,1′-Biphenyl-4,4′-Diamine Synonym
  • [1,1′-Biphenyl]-4,4′-diamine, N4,N4′-bis(3-methylphenyl)-N4,N4′-diphenyl- Synonym
  • [1,1′-Biphenyl]-4,4′-diamine, N,N′-bis(3-methylphenyl)-N,N′-diphenyl- Synonym
  • N,N′-Bis(3-methylphenyl)-N,N′-diphenyl[1,1′-biphenyl]-4,4′-diamine Synonym
  • N,N′-Diphenyl-N,N′-bis(3-methylphenyl)[1,1′-biphenyl]-4,4′-diamine Synonym
  • N,N′-Diphenyl-N,N′-bis(m-tolyl)[1,1′-biphenyl]-4,4′-diamine Synonym
  • 4,4′-Bis[N-(3-methylphenyl)-N-phenylamino]biphenyl Synonym
  • 4,4′-Bis[N-phenyl-N-(3-methylphenyl)amino]diphenyl Synonym
  • TPD (photoreceptor) Synonym
  • TPD Synonym
  • N,N′-Diphenyl-N,N′-di(3-methylphenyl)benzidine Synonym
  • N,N′-Diphenyl-N,N′-bis(3-methylphenyl)[1,1′-bisphenyl]-4,4′-diamine Synonym
  • N,N′-Diphenyl-N,N′-di(3-methylphenyl)-4,4′-diaminobiphenyl Synonym
  • N,N′-Diphenyl-N,N′-bis(3-methylphenyl)benzidine Synonym
  • N,N′-Diphenyl-N,N′-bis(m-tolyl)benzidine Synonym
  • N,N′-Diphenyl-N,N′-di(m-tolyl)benzidine Synonym
  • N,N′-Bis(3-methylphenyl)-N,N′-diphenylbenzidine Synonym
  • N,N′-Diphenyl-N,N′-bis(3-methylphenyl)-1,1′-diphenyl-4,4′-diamine Synonym
  • N,N′-Diphenyl-N,N′-bis(3-methylphenyl)-p-benzidine Synonym
  • N,N′-Diphenyl-N,N′-di-m-tolylbiphenyl-4,4′-diamine Synonym
  • ELA 4021 Synonym
  • N,N′-Diphenyl-N,N-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine Synonym
  • ST 16/1.2 Synonym
  • N 50 Synonym
  • N,N′-Diphenyl-N,N′-bis(3-methylphenyl)-1,1-biphenyl-4,4′-diamine Synonym
  • D 2448 Synonym
  • 3-Methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 516.69 g/mol CAS Common Chemistry
516.6880000000002 g/mol RDKit
516.688 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
6.02 Ų chempirical lib
LogP 10.910039999999988 RDKit
10.91 RDKit
Molar Refractivity 170.71799999999953 cm³/mol RDKit
Ring Count 6 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.0526 RDKit
0.05 chempirical lib
Exact Mass 516.256549024 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 516.69 g/mol; density = 1.370 g/mL. Edit any field — others recompute live.

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