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Molecule
7H-Dibenzo[C,G]Carbazole
CAS: 194-59-2 · C20H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 194-59-2
- Molecular Formula
- C20H13N
- Molecular Mass
- 267.33 g/mol
Identifiers
CAS Registry Number
194-59-2
SMILES
c1ccc2c(c1)ccc1[nH]c3ccc4ccccc4c3c12
InChI Key
STJXCDGCXVZHDU-UHFFFAOYSA-N
InChI
InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H
Names and Synonyms
- 7H-Dibenzo[C,G]Carbazole Systematic Name
- 7H-Dibenzo[c,g]carbazole Synonym
- 7-Aza-7H-dibenzo[c,g]fluorene Synonym
- 3,4:5,6-Dibenzocarbazole Synonym
- NSC 87519 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.33 g/mol | CAS Common Chemistry |
| 267.331 g/mol | RDKit | |
| 268.339 g/mol | chempirical lib | |
| Canonical SMILES | C=1C=CC=2C(C1)=CC=C3NC=4C=CC=5C=CC=CC5C4C32 | CAS Common Chemistry |
| InChI | InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H | CAS Common Chemistry |
| InChI Key | InChIKey=STJXCDGCXVZHDU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C | CAS Common Chemistry |
| Name | 7H-Dibenzo[c,g]carbazole | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 15.79 Ų | RDKit |
| LogP | 5.627500000000003 | RDKit |
| 5.6275 | RDKit | |
| Molar Refractivity | 90.81670000000005 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 267.104799416 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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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.
External Resources
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MW = 267.33 g/mol. Edit any field — others recompute live.
