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Tetraphenylmethane
CAS: 630-76-2 | C25H20
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
630-76-2
Molecular Formula:
C25H20
Molecular Mass:
320.44 g/mol
Names and Synonyms:
Tetraphenylmethane
Benzene, 1,1′,1′′,1′′′-methanetetrayltetrakis-
Methane, tetraphenyl-
1,1′,1′′,1′′′-Methanetetrayltetrakis[benzene]
Tetraphenylmethane
NSC 43332
1,1′,1′′,1′′′-Methanetetrayltetrabenzene
Identifiers:
SMILES:
c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
Key Properties
Boiling Point
431 °C
CAS Common Chemistry
Melting Point
282 °C
CAS Common Chemistry
Density
0.92 g/cm³
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 | 320.44 g/mol | CAS Common Chemistry |
| 320.435 g/mol | RDKit | |
| 320.15650064 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.922274 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetraphenylmethane | CAS Common Chemistry |
| Boiling Point | 431 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H | CAS Common Chemistry |
| InChI Key | InChIKey=PEQHIRFAKIASBK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 282 °C | CAS Common Chemistry |
| Name | 1,1′,1′′,1′′′-Methanetetrayltetrakis[benzene] | CAS Common Chemistry |
| Tetraphenylmethane | CAS Common Chemistry | |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.0693000000000055 | RDKit |
| Molar Refractivity | 104.75200000000002 | RDKit |
