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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
Names and Synonyms:
Para-Quaterphenyl
1,1′:4′,1′′:4′′,1′′′-Quaterphenyl
p-Quaterphenyl
Biphenyl, 4,4′-diphenyl-
Benzerythrene
Quadriphenyl
p-Tetraphenyl
1,1′-Biphenyl, 4,4′-diphenyl-
4,4′-Diphenylbiphenyl
PQP
NSC 24860
p-Phenylene tetramer
Identifiers:
SMILES:
c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1
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
Key Properties
Boiling Point
240-280 °C @ Press: 3 Torr
CAS Common Chemistry
Melting Point
320 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.41 g/mol | CAS Common Chemistry |
| 306.408 g/mol | RDKit | |
| 306.140850576 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Para-Quaterphenyl | CAS Common Chemistry |
| Boiling Point | 240-280 °C @ Press: 3 Torr | 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 |
| para-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 |
| Molar Refractivity | 102.75000000000001 | RDKit |
