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Molecule
Para-Quaterphenyl
CAS: 135-70-6 · C24H18
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 135-70-6
- Molecular Formula
- C24H18
- Molecular Mass
- 306.41 g/mol
Identifiers
CAS Registry Number
135-70-6
SMILES
c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChI Key
GPRIERYVMZVKTC-UHFFFAOYSA-N
InChI
InChI=1S/C24H18/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
Names and Synonyms
- Para-Quaterphenyl Synonym
- 1,1′:4′,1′′:4′′,1′′′-Quaterphenyl Synonym
- p-Quaterphenyl Synonym
- Biphenyl, 4,4′-diphenyl- Synonym
- Benzerythrene Synonym
- Quadriphenyl Synonym
- p-Tetraphenyl Synonym
- 1,1′-Biphenyl, 4,4′-diphenyl- Synonym
- 4,4′-Diphenylbiphenyl Synonym
- PQP Synonym
- NSC 24860 Synonym
- p-Phenylene tetramer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.41 g/mol | CAS Common Chemistry |
| 306.408 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Para-Quaterphenyl | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C=2C=CC(=CC2)C=3C=CC(=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C24H18/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H | CAS Common Chemistry |
| InChI Key | InChIKey=GPRIERYVMZVKTC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 320 °C | CAS Common Chemistry |
| Name | p-Quaterphenyl | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.687600000000005 | RDKit |
| 6.6876 | RDKit | |
| Molar Refractivity | 102.75000000000001 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 306.140850576 g/mol | RDKit |
| Boiling Point | 240-280 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
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.
External Resources
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MW = 306.41 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H18.
