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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
Names and Synonyms:
Solvent Red 52
3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]-
3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 3-methyl-6-p-toluidino-
3-Methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione
C.I. 68210
Ahcoquinone Rubine Base
C.I. Solvent Red 52
Helio Oil Red R Pdr
3-Methyl-6-p-toluidino-3H-dibenz[f,ij]isoquinoline-2,7-dione
Oil Fast Red R Pdr
Waxoline Rubine RA
2,3-Dihydro-3-methyl-2-oxo-6-p-toluidine-3-azabenzanthrone
Macrolex Red 5B
Rubinol R Base
Solvent Red 52
Diaresin Red H 5B
Sumiplast Red HL 5B
Macrolex Red 5B Gran
Kenawax Red Rubine 2RP
Transparent Red H 5B
KP Plast Red 5B
Optica Global PRT Red
Optica Global PRT Red Toner
SR 52
3-Methyl-6-(p-tolylamino)-2H-naphtho[1,2,3-de]quinoline-2,7(3H)-dione
Identifiers:
SMILES:
Cc1ccc(Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1
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
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 | 366.42 g/mol | CAS Common Chemistry |
| 366.4200000000001 g/mol | RDKit | |
| 366.13682781599994 g/mol | RDKit | |
| 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 |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 51.1 Ų | RDKit |
| LogP | 4.8019200000000035 | RDKit |
| Molar Refractivity | 112.51920000000001 | RDKit |
