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Molecule
9,10-Diphenylanthracene
CAS: 1499-10-1 · C26H18
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1499-10-1
- Molecular Formula
- C26H18
- Molecular Mass
- 330.43 g/mol
Identifiers
CAS Registry Number
1499-10-1
SMILES
c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChI Key
FCNCGHJSNVOIKE-UHFFFAOYSA-N
InChI
InChI=1S/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H
Names and Synonyms
- 9,10-Diphenylanthracene Systematic Name
- Anthracene, 9,10-diphenyl- Synonym
- 9,10-Diphenylanthracene Synonym
- DPA Synonym
- NSC 24861 Synonym
- Cyalume Blue Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 330.43 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/9,10-Diphenylanthracene | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C=2C=3C=CC=CC3C(C=4C=CC=CC4)=C5C=CC=CC52 | CAS Common Chemistry |
| InChI | InChI=1S/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H | CAS Common Chemistry |
| InChI Key | InChIKey=FCNCGHJSNVOIKE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 246 °C | CAS Common Chemistry |
| Name | 9,10-Diphenylanthracene | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 7.327000000000004 | RDKit |
| 7.327 | RDKit | |
| Molar Refractivity | 112.32600000000001 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 330.140850576 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
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MW = 330.43 g/mol. Edit any field — others recompute live.
