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Molecule
2-Hydroxy-N-(4-Methoxyphenyl)-11H-Benzo[A]Carbazole-3-Carboxamide
CAS: 86-19-1 · C24H18N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 86-19-1
- Molecular Formula
- C24H18N2O3
- Molecular Mass
- 382.42 g/mol
Identifiers
CAS Registry Number
86-19-1
SMILES
COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2O)cc1
InChI Key
HRNSEOMPRWUKQL-UHFFFAOYSA-N
InChI
InChI=1S/C24H18N2O3/c1-29-16-9-7-15(8-10-16)25-24(28)20-12-14-6-11-18-17-4-2-3-5-21(17)26-23(18)19(14)13-22(20)27/h2-13,26-27H,1H3,(H,25,28)
Names and Synonyms
- 2-Hydroxy-N-(4-Methoxyphenyl)-11H-Benzo[A]Carbazole-3-Carboxamide Systematic Name
- 11H-Benzo[a]carbazole-3-carboxamide, 2-hydroxy-N-(4-methoxyphenyl)- Synonym
- 11H-Benzo[a]carbazole-3-carbox-p-anisidide, 2-hydroxy- Synonym
- 2-Hydroxy-N-(4-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide Synonym
- C.I. 37595 Synonym
- Amanil Naphthol AS-SG Synonym
- Amarthol AS-SG Synonym
- Azotol TCH Synonym
- Brenthol GB Synonym
- Cibanaphthol NS Synonym
- Hiltonaphthol AS-SG Synonym
- 2-Hydroxy-11H-benzo[a]carbazole-3-carbox-p-anisidide Synonym
- Naphtanilide SG Synonym
- Naphtanilide SG-S 50 Synonym
- Naphthanilide SR Synonym
- Naphthol AS-SG Synonym
- Naphtholate AS-SG Soln. Synonym
- Naphtoelan SG Synonym
- Naphtol AS-SG Synonym
- Naphtol AS-SGLL Synonym
- Naphtol AS-SG Supra Synonym
- Tulathol AS-SG Synonym
- 2-Hydroxy-3-[N-(4-methoxyphenyl)carbamoyl]-11H-benzo[a]carbazole Synonym
- 2-Hydroxy-α-benzocarbazole-3-carboxylic acid p-methoxyanilide Synonym
- C.I. Azoic Coupling Component 13 Synonym
- Naphthol SG Synonym
- Azoic Coupling Component 13 Synonym
- Scarlet RC Base Synonym
- Dycosthol AS-SG Synonym
- Napthol ASSG Synonym
- Naftol AS-SG Synonym
- N-(4-Methoxyphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carbamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 382.42 g/mol | CAS Common Chemistry |
| 382.4190000000001 g/mol | RDKit | |
| 382.419 g/mol | RDKit | |
| 383.427 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC1=CC=C(OC)C=C1)C2=CC=3C=CC=4C=5C=CC=CC5NC4C3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C24H18N2O3/c1-29-16-9-7-15(8-10-16)25-24(28)20-12-14-6-11-18-17-4-2-3-5-21(17)26-23(18)19(14)13-22(20)27/h2-13,26-27H,1H3,(H,25,28) | CAS Common Chemistry |
| InChI Key | InChIKey=HRNSEOMPRWUKQL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 246 °C | CAS Common Chemistry |
| Name | 2-Hydroxy-N-(4-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 74.35 Ų | RDKit |
| 70.56 Ų | chempirical lib | |
| LogP | 5.440800000000004 | RDKit |
| 5.4408 | RDKit | |
| Molar Refractivity | 115.92270000000003 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0417 | RDKit |
| Exact Mass | 382.131742436 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| 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 = 382.42 g/mol. Edit any field — others recompute live.
