Back to Search
Benzo[B]Triphenylene
CAS: 215-58-7 | C22H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
215-58-7
Molecular Formula:
C22H14
Molecular Mass:
278.35 g/mol
Names and Synonyms:
Benzo[B]Triphenylene
Benzo[b]triphenylene
1,2:3,4-Dibenzanthracene
Dibenz[a,c]anthracene
Dibenzo[a,c]anthracene
1,2:3,4-Dibenzoanthracene
2,3-Benzotriphenylene
Identifiers:
SMILES:
c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1
InChI:
InChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H
Key Properties
Boiling Point
524 °C
CAS Common Chemistry
Melting Point
206 °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 | 278.35 g/mol | CAS Common Chemistry |
| 278.354 g/mol | RDKit | |
| 278.109550448 g/mol | RDKit | |
| Boiling Point | 524 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC=2C=C3C=4C=CC=CC4C5=CC=CC=C5C3=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=RAASUWZPTOJQAY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 206 °C | CAS Common Chemistry |
| Name | Benzo[b]triphenylene | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.299400000000003 | RDKit |
| Molar Refractivity | 96.46600000000005 | RDKit |
