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Molecule
N,N,N′,N′-Tetraphenylbenzidine
CAS: 15546-43-7 · C36H28N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15546-43-7
- Molecular Formula
- C36H28N2
- Molecular Mass
- 488.63 g/mol
Identifiers
CAS Registry Number
15546-43-7
SMILES
c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChI Key
DCZNSJVFOQPSRV-UHFFFAOYSA-N
InChI
InChI=1S/C36H28N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
Names and Synonyms
- N,N,N′,N′-Tetraphenylbenzidine Synonym
- [1,1′-Biphenyl]-4,4′-diamine, N4,N4,N4′,N4′-tetraphenyl- Synonym
- Benzidine, N,N,N′,N′-tetraphenyl- Synonym
- [1,1′-Biphenyl]-4,4′-diamine, N,N,N′,N′-tetraphenyl- Synonym
- N,N,N′,N′-Tetraphenylbenzidine Synonym
- N,N,N′,N′-Tetraphenyl-[1,1′-biphenyl]-4,4′-diamine Synonym
- N,N,N′,N′-Tetraphenylbiphenyl-4,4′-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 488.63 g/mol | CAS Common Chemistry |
| 488.6340000000001 g/mol | RDKit | |
| 488.634 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)N(C=2C=CC=CC2)C3=CC=C(C=C3)C=4C=CC(=CC4)N(C=5C=CC=CC5)C=6C=CC=CC6 | CAS Common Chemistry |
| InChI | InChI=1S/C36H28N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H | CAS Common Chemistry |
| InChI Key | InChIKey=DCZNSJVFOQPSRV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 227 °C @ Solvent: Benzene, Ethanol | CAS Common Chemistry |
| Name | N,N,N′,N′-Tetraphenylbenzidine | CAS Common Chemistry |
| Heavy Atom Count | 38 | 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 | 10.293199999999992 | RDKit |
| 10.2932 | RDKit | |
| Molar Refractivity | 161.24399999999957 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 488.225248896 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 488.63 g/mol. Edit any field — others recompute live.
