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Molecule
4,4′-Bis[2-(2-Methoxyphenyl)Ethenyl]-1,1′-Biphenyl
CAS: 40470-68-6 · C30H26O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 40470-68-6
- Molecular Formula
- C30H26O2
- Molecular Mass
- 418.54 g/mol
Identifiers
CAS Registry Number
40470-68-6
SMILES
COc1ccccc1C=Cc1ccc(-c2ccc(C=Cc3ccccc3OC)cc2)cc1
InChI Key
HZAWHDJKNZWAAR-UHFFFAOYSA-N
InChI
InChI=1S/C30H26O2/c1-31-29-9-5-3-7-27(29)21-15-23-11-17-25(18-12-23)26-19-13-24(14-20-26)16-22-28-8-4-6-10-30(28)32-2/h3-22H,1-2H3
Names and Synonyms
- 4,4′-Bis[2-(2-Methoxyphenyl)Ethenyl]-1,1′-Biphenyl Systematic Name
- 1,1′-Biphenyl, 4,4′-bis[2-(2-methoxyphenyl)ethenyl]- Synonym
- 4,4′-Bis[2-(2-methoxyphenyl)ethenyl]-1,1′-biphenyl Synonym
- 4,4′-Bis(2-methoxystyryl)biphenyl Synonym
- Uvitex FP Synonym
- 4,4′-Bis(2-methoxystyryl)-1,1′-biphenyl Synonym
- 4,4′-Bis(2-methoxystyryl)diphenyl Synonym
- Uvitex 127 Synonym
- CBS 127 Synonym
- Brightener FP Synonym
- 1-Methoxy-2-[2-[4-[4-[2-(2-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene Synonym
- Fluorescent Brightener FP 127 Synonym
- FP 127 Synonym
- Fluorescent brightener 378 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 418.54 g/mol | CAS Common Chemistry |
| 418.5360000000001 g/mol | RDKit | |
| 418.536 g/mol | RDKit | |
| Canonical SMILES | O(C=1C=CC=CC1C=CC=2C=CC(=CC2)C3=CC=C(C=CC=4C=CC=CC4OC)C=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C30H26O2/c1-31-29-9-5-3-7-27(29)21-15-23-11-17-25(18-12-23)26-19-13-24(14-20-26)16-22-28-8-4-6-10-30(28)32-2/h3-22H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HZAWHDJKNZWAAR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4′-Bis[2-(2-methoxyphenyl)ethenyl]-1,1′-biphenyl | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 7.711600000000008 | RDKit |
| 7.7116 | RDKit | |
| Molar Refractivity | 135.7219999999999 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 418.193280072 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 |
|---|
200 ppm
180
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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.
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MW = 418.54 g/mol. Edit any field — others recompute live.
