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Molecule
Solvent Red 25
CAS: 3176-79-2 · C24H20N4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3176-79-2
- Molecular Formula
- C24H20N4O
- Molecular Mass
- 380.45 g/mol
Identifiers
CAS Registry Number
3176-79-2
SMILES
Cc1cccc(N=Nc2ccc(N=Nc3c(O)ccc4ccccc34)cc2C)c1
InChI Key
NHXXLZBKTKNTEF-UHFFFAOYSA-N
InChI
InChI=1S/C24H20N4O/c1-16-6-5-8-19(14-16)25-27-22-12-11-20(15-17(22)2)26-28-24-21-9-4-3-7-18(21)10-13-23(24)29/h3-15,29H,1-2H3
Names and Synonyms
- Solvent Red 25 Common Name
- 2-Naphthalenol, 1-[2-[3-methyl-4-[2-(3-methylphenyl)diazenyl]phenyl]diazenyl]- Synonym
- C.I. Solvent Red 25 Synonym
- Sudan Red B Synonym
- 2-Naphthalenol, 1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]- Synonym
- 1-[2-[3-Methyl-4-[2-(3-methylphenyl)diazenyl]phenyl]diazenyl]-2-naphthalenol Synonym
- C.I. 26110 Synonym
- Ceres Red B Synonym
- 1-[4-(m-Tolylazo)-m-tolylazo]-2-naphthol Synonym
- 2,3′-Dimethyl-4-[(2-hydroxy-1-naphthyl)azo]azobenzene Synonym
- Solvent Red 25 Synonym
- NSC 252816 Synonym
- Transparent Red B Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 380.45 g/mol | CAS Common Chemistry |
| 380.45100000000014 g/mol | RDKit | |
| 380.451 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(N=NC4=CC=CC(=C4)C)C(=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H20N4O/c1-16-6-5-8-19(14-16)25-27-22-12-11-20(15-17(22)2)26-28-24-21-9-4-3-7-18(21)10-13-23(24)29/h3-15,29H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NHXXLZBKTKNTEF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Solvent Red 25 | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 69.67 Ų | RDKit |
| LogP | 7.993040000000006 | RDKit |
| 7.993 | RDKit | |
| Molar Refractivity | 116.3228 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 380.16371126 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 380.45 g/mol. Edit any field — others recompute live.
