Back to Search
Molecule
Solvent Red 52
CAS: 81-39-0 · C24H18N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 81-39-0
- Molecular Formula
- C24H18N2O2
- Molecular Mass
- 366.42 g/mol
Identifiers
CAS Registry Number
81-39-0
SMILES
Cc1ccc(Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1
InChI Key
VJUKWPOWHJITTP-UHFFFAOYSA-N
InChI
InChI=1S/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3
Names and Synonyms
- Solvent Red 52 Synonym
- 3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]- Synonym
- 3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 3-methyl-6-p-toluidino- Synonym
- 3-Methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione Synonym
- C.I. 68210 Synonym
- Ahcoquinone Rubine Base Synonym
- C.I. Solvent Red 52 Synonym
- Helio Oil Red R Pdr Synonym
- 3-Methyl-6-p-toluidino-3H-dibenz[f,ij]isoquinoline-2,7-dione Synonym
- Oil Fast Red R Pdr Synonym
- Waxoline Rubine RA Synonym
- 2,3-Dihydro-3-methyl-2-oxo-6-p-toluidine-3-azabenzanthrone Synonym
- Macrolex Red 5B Synonym
- Rubinol R Base Synonym
- Solvent Red 52 Synonym
- Diaresin Red H 5B Synonym
- Sumiplast Red HL 5B Synonym
- Macrolex Red 5B Gran Synonym
- Kenawax Red Rubine 2RP Synonym
- Transparent Red H 5B Synonym
- KP Plast Red 5B Synonym
- Optica Global PRT Red Synonym
- Optica Global PRT Red Toner Synonym
- SR 52 Synonym
- 3-Methyl-6-(p-tolylamino)-2H-naphtho[1,2,3-de]quinoline-2,7(3H)-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 366.42 g/mol | CAS Common Chemistry |
| 366.4200000000001 g/mol | RDKit | |
| 367.428 g/mol | chempirical lib | |
| Canonical SMILES | O=C1C=C2C=3C=CC=CC3C(=O)C=4C(=CC=C(C24)N1C)NC5=CC=C(C=C5)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VJUKWPOWHJITTP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Solvent Red 52 | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 51.1 Ų | RDKit |
| 49.18 Ų | chempirical lib | |
| LogP | 4.8019200000000035 | RDKit |
| 4.8019 | RDKit | |
| Molar Refractivity | 112.51920000000001 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| Exact Mass | 366.13682781599994 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 = 366.42 g/mol. Edit any field — others recompute live.
