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Molecule
9-Ethylcarbazole-3-Carbaldehyde Diphenylhydrazone
CAS: 73276-70-7 · C27H23N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 73276-70-7
- Molecular Formula
- C27H23N3
- Molecular Mass
- 389.50 g/mol
Identifiers
CAS Registry Number
73276-70-7
SMILES
CCn1c2ccccc2c2cc(C=NN(c3ccccc3)c3ccccc3)ccc21
InChI Key
CEAPHJPESODIQL-UHFFFAOYSA-N
InChI
InChI=1S/C27H23N3/c1-2-29-26-16-10-9-15-24(26)25-19-21(17-18-27(25)29)20-28-30(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20H,2H2,1H3
Names and Synonyms
- 9-Ethylcarbazole-3-Carbaldehyde Diphenylhydrazone Synonym
- 9H-Carbazole-3-carboxaldehyde, 9-ethyl-, 2,2-diphenylhydrazone Synonym
- 9H-Carbazole-3-carboxaldehyde, 9-ethyl-, diphenylhydrazone Synonym
- 9-Ethylcarbazole-3-aldehyde N,N-diphenylhydrazone Synonym
- 9-Ethylcarbazole-3-carbaldehyde diphenylhydrazone Synonym
- ELA 3011 Synonym
- 9-Ethyl-3-carbazolecarboxaldehyde diphenylhydrazone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 389.50 g/mol | CAS Common Chemistry |
| 389.50200000000007 g/mol | RDKit | |
| 389.502 g/mol | RDKit | |
| 390.51 g/mol | chempirical lib | |
| Canonical SMILES | N(=CC1=CC=C2C(=C1)C=3C=CC=CC3N2CC)N(C=4C=CC=CC4)C=5C=CC=CC5 | CAS Common Chemistry |
| InChI | InChI=1S/C27H23N3/c1-2-29-26-16-10-9-15-24(26)25-19-21(17-18-27(25)29)20-28-30(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CEAPHJPESODIQL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 9-Ethylcarbazole-3-carbaldehyde diphenylhydrazone | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| 2 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 20.53 Ų | RDKit |
| LogP | 6.9866000000000055 | RDKit |
| 6.9866 | RDKit | |
| Molar Refractivity | 127.735 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0741 | RDKit |
| Exact Mass | 389.18919773600004 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
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MW = 389.50 g/mol. Edit any field — others recompute live.
