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Molecule
4,4′-[[1,1′-Biphenyl]-2,5-Diylbis(Oxy)]Bis[Benzenamine]
CAS: 94148-67-1 · C24H20N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 94148-67-1
- Molecular Formula
- C24H20N2O2
- Molecular Mass
- 368.44 g/mol
Identifiers
CAS Registry Number
94148-67-1
SMILES
Nc1ccc(Oc2ccc(Oc3ccc(N)cc3)c(-c3ccccc3)c2)cc1
InChI Key
JWRLKLYWXKMAFL-UHFFFAOYSA-N
InChI
InChI=1S/C24H20N2O2/c25-18-6-10-20(11-7-18)27-22-14-15-24(28-21-12-8-19(26)9-13-21)23(16-22)17-4-2-1-3-5-17/h1-16H,25-26H2
Names and Synonyms
- 4,4′-[[1,1′-Biphenyl]-2,5-Diylbis(Oxy)]Bis[Benzenamine] Synonym
- Benzenamine, 4,4′-[[1,1′-biphenyl]-2,5-diylbis(oxy)]bis- Synonym
- 4,4′-[[1,1′-Biphenyl]-2,5-diylbis(oxy)]bis[benzenamine] Synonym
- 1,4-Bis(4-aminophenoxy)-2-phenylbenzene Synonym
- 4,4′-[(2-Phenyl-p-phenylene)dioxy]dianiline Synonym
- 2,5-Bis(4-aminophenoxy)biphenyl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.44 g/mol | CAS Common Chemistry |
| 368.43600000000004 g/mol | RDKit | |
| 368.436 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=C(N)C=C1)C=2C=CC(OC3=CC=C(N)C=C3)=C(C2)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C24H20N2O2/c25-18-6-10-20(11-7-18)27-22-14-15-24(28-21-12-8-19(26)9-13-21)23(16-22)17-4-2-1-3-5-17/h1-16H,25-26H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JWRLKLYWXKMAFL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4′-[[1,1′-Biphenyl]-2,5-diylbis(oxy)]bis[benzenamine] | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 70.5 Ų | RDKit |
| LogP | 6.102600000000004 | RDKit |
| 6.1026 | RDKit | |
| Molar Refractivity | 113.73479999999999 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 368.15247788 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 368.44 g/mol. Edit any field — others recompute live.
