Back to Search
Molecule
Terphenyl
CAS: 92-94-4 · C18H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 92-94-4
- Molecular Formula
- C18H14
- Molecular Mass
- 230.31 g/mol
Identifiers
CAS Registry Number
92-94-4
SMILES
c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChI Key
XJKSTNDFUHDPQJ-UHFFFAOYSA-N
InChI
InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H
Names and Synonyms
- Terphenyl Synonym
- 1,1′:4′,1′′-Terphenyl Synonym
- p-Terphenyl Synonym
- p-Diphenylbenzene Synonym
- Santowax P Synonym
- p-Triphenyl Synonym
- 1,4-Diphenylbenzene Synonym
- 1,1′-Biphenyl, 4-phenyl- Synonym
- PTP Synonym
- 4-Phenylbiphenyl Synonym
- TP Synonym
- TP (scintillator) Synonym
- PT Synonym
- NSC 6810 Synonym
- 4-Phenyl-1,1′-biphenyl Synonym
- p-Phenylene trimer Synonym
- T 3203 Synonym
- PPP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 230.31 g/mol | CAS Common Chemistry |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.234 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Terphenyl | CAS Common Chemistry |
| Boiling Point | 376 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C=2C=CC(=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=XJKSTNDFUHDPQJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 210.1 °C | CAS Common Chemistry |
| Name | p-Terphenyl | CAS Common Chemistry |
| Terphenyl | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.0206000000000035 | RDKit |
| 5.0206 | RDKit | |
| Molar Refractivity | 77.31400000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 230.109550448 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 230.31 g/mol; density = 1.230 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H14.
