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Molecule
1,4-Bis(2-Benzoxazolyl)Naphthalene
CAS: 5089-22-5 · C24H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5089-22-5
- Molecular Formula
- C24H14N2O2
- Molecular Mass
- 362.39 g/mol
Identifiers
CAS Registry Number
5089-22-5
SMILES
c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)nc2c1
InChI Key
WFYSPVCBIJCZPX-UHFFFAOYSA-N
InChI
InChI=1S/C24H14N2O2/c1-2-8-16-15(7-1)17(23-25-19-9-3-5-11-21(19)27-23)13-14-18(16)24-26-20-10-4-6-12-22(20)28-24/h1-14H
Names and Synonyms
- 1,4-Bis(2-Benzoxazolyl)Naphthalene Synonym
- Benzoxazole, 2,2′-(1,4-naphthalenediyl)bis- Synonym
- Benzoxazole, 2,2′-(1,4-naphthylene)bis- Synonym
- 2,2′-(1,4-Naphthalenediyl)bis[benzoxazole] Synonym
- 1,4-Bis(2-benzoxazolyl)naphthalene Synonym
- 1,4-Di(2-benzoxazolyl)naphthalene Synonym
- Hostalux KCB Synonym
- KCB Synonym
- Fluorescent brightener KCB Synonym
- 2-[4-(1,3-Benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole Synonym
- Fluorescent brightener 367 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 362.39 g/mol | CAS Common Chemistry |
| 362.3880000000001 g/mol | RDKit | |
| 362.388 g/mol | RDKit | |
| 363.396 g/mol | chempirical lib | |
| Canonical SMILES | N1=C(OC2=CC=CC=C12)C3=CC=C(C4=NC5=CC=CC=C5O4)C=6C=CC=CC36 | CAS Common Chemistry |
| InChI | InChI=1S/C24H14N2O2/c1-2-8-16-15(7-1)17(23-25-19-9-3-5-11-21(19)27-23)13-14-18(16)24-26-20-10-4-6-12-22(20)28-24/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=WFYSPVCBIJCZPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 212-213 °C | CAS Common Chemistry |
| Name | 1,4-Bis(2-benzoxazolyl)naphthalene | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 52.06 Ų | RDKit |
| LogP | 6.4562000000000035 | RDKit |
| 6.4562 | RDKit | |
| Molar Refractivity | 109.95400000000002 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 362.10552768800005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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.
External Resources
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MW = 362.39 g/mol. Edit any field — others recompute live.
