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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
Names and Synonyms:
2-Hydroxy-N-(4-Methoxyphenyl)-11H-Benzo[A]Carbazole-3-Carboxamide
11H-Benzo[a]carbazole-3-carboxamide, 2-hydroxy-N-(4-methoxyphenyl)-
11H-Benzo[a]carbazole-3-carbox-p-anisidide, 2-hydroxy-
2-Hydroxy-N-(4-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide
C.I. 37595
Amanil Naphthol AS-SG
Amarthol AS-SG
Azotol TCH
Brenthol GB
Cibanaphthol NS
Hiltonaphthol AS-SG
2-Hydroxy-11H-benzo[a]carbazole-3-carbox-p-anisidide
Naphtanilide SG
Naphtanilide SG-S 50
Naphthanilide SR
Naphthol AS-SG
Naphtholate AS-SG Soln.
Naphtoelan SG
Naphtol AS-SG
Naphtol AS-SGLL
Naphtol AS-SG Supra
Tulathol AS-SG
2-Hydroxy-3-[N-(4-methoxyphenyl)carbamoyl]-11H-benzo[a]carbazole
2-Hydroxy-α-benzocarbazole-3-carboxylic acid p-methoxyanilide
C.I. Azoic Coupling Component 13
Naphthol SG
Azoic Coupling Component 13
Scarlet RC Base
Dycosthol AS-SG
Napthol ASSG
Naftol AS-SG
N-(4-Methoxyphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carbamide
Identifiers:
SMILES:
COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2O)cc1
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)
Key Properties
Melting Point
246 °C
CAS Common Chemistry
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 | 382.42 g/mol | CAS Common Chemistry |
| 382.4190000000001 g/mol | RDKit | |
| 382.131742436 g/mol | RDKit | |
| 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 |
| LogP | 5.440800000000004 | RDKit |
| Molar Refractivity | 115.92270000000003 | RDKit |
