SDF/Mol File of Dibenzo(b,def)carbazole (C18H11N)
Identification of Dibenzo(b,def)carbazole Chemical Compound
| Chemical Formula | C18H11N |
|---|---|
| Molecular Weight | 241.28664 g/mol |
| IUPAC Name | 19-azapentacyclo[14.2.1.0^{3,8}.0^{9,18}.0^{12,17}]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene |
| SMILES String | c1ccc2c(c1)cc3[nH]c4cccc5ccc2c3c45 |
| InChI | InChI=1S/C18H11N/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(19-16)17(11)18/h1-10,19H |
| InChIKey | MOBQGBVFDKCBQD-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Dibenzo(b,def)carbazole is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Dibenzo(b,def)carbazole molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Dibenzo(b,def)carbazole Molecule
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Chemical structure of Dibenzo(b,def)carbazole
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Dibenzo(b,def)carbazole is available in chemical structure page of Dibenzo(b,def)carbazole, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of Dibenzo(b,def)carbazole
The molecular weight of Dibenzo(b,def)carbazole is available in molecular weight page of Dibenzo(b,def)carbazole, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Dibenzo(b,def)carbazole
The chemical formula of Dibenzo(b,def)carbazole is given in chemical formula page of Dibenzo(b,def)carbazole, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Dibenzo(b,def)carbazole
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Dibenzo(b,def)carbazole is:
InChI=1S/C18H11N/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(19-16)17(11)18/h1-10,19H
It can provide a standard way to encode the molecular information of Dibenzo(b,def)carbazole to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Dibenzo(b,def)carbazole is:
InChIKey=MOBQGBVFDKCBQD-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Dibenzo(b,def)carbazole, but it needs to be linked to the full InChI to get back to the original structure of the Dibenzo(b,def)carbazole since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Dibenzo(b,def)carbazole
The Dibenzo(b,def)carbazole compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Dibenzo(b,def)carbazole including the registry numbers are listed below, if available:
- 4H-Dibenzo[b,def]carbazole #
- 4H-Dibenzo[b,def]carbazole
- Dibenzo(b,def)carbazole
Dibenzo(b,def)carbazole Identification Summary Frequently Asked Questions (FAQs)
| What’s the Dibenzo(b,def)carbazole formula? |
|---|
| C18H11N |
| How many atoms and what elements are included in the Dibenzo(b,def)carbazole molecule? |
| 30 atom(s) - 11 Hydrogen atom(s), 18 Carbon atom(s), and 1 Nitrogen atom(s) |
| How many chemical bonds and what kind of bonds are in the Dibenzo(b,def)carbazole structure? |
| 34 bond(s) - 23 non-H bond(s), 23 multiple bond(s), 23 aromatic bond(s), 1 five-membered ring(s), 4 six-membered ring(s), 3 nine-membered ring(s), 3 ten-membered ring(s), 2 eleven-membered ring(s), and 1 Pyrrole(s) |
| What’s the Dibenzo(b,def)carbazole’s molar mass? |
| 241.28664 g/mol |
| What’s the SMILES structure of Dibenzo(b,def)carbazole? |
| c1ccc2c(c1)cc3[nH]c4cccc5ccc2c3c45 |
| What’s the InChI code of Dibenzo(b,def)carbazole? |
| InChI=1S/C18H11N/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(19-16)17(11)18/h1-10,19H |
| What’s the InChIKey format of Dibenzo(b,def)carbazole? |
| MOBQGBVFDKCBQD-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).