Structure & Deep Data of Dibenzosuberone (C15H12O)
Identification of Dibenzosuberone Chemical Compound
| Chemical Formula | C15H12O |
|---|---|
| Molecular Weight | 208.25518 g/mol |
| IUPAC Name | tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one |
| SMILES String | O=C2c1ccccc1CCc3ccccc23 |
| InChI | InChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2 |
| InChIKey | BMVWCPGVLSILMU-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Dibenzosuberone molecule contains a total of 30 bond(s). There are 18 non-H bond(s), 13 multiple bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 seven-membered ring(s), 2 eleven-membered ring(s), and 1 ketone(s) (aromatic). Images of the chemical structure of Dibenzosuberone are given below:
The 2D chemical structure image of Dibenzosuberone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Dibenzosuberone are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of Dibenzosuberone is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Dibenzosuberone. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Dibenzosuberone is provided here.
The Dibenzosuberone molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Dibenzosuberone molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Dibenzosuberone can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Dibenzosuberone Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Dibenzosuberone
The SMILES string of Dibenzosuberone is O=C2c1ccccc1CCc3ccccc23, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Dibenzosuberone.
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Structure Data File (SDF/MOL File) of Dibenzosuberone
The structure data file (SDF/MOL File) of Dibenzosuberone is available for download in the SDF page of Dibenzosuberone, which provides the information about the atoms, bonds, connectivity and coordinates of Dibenzosuberone. The Dibenzosuberone structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Dibenzosuberone
The molecular formula of Dibenzosuberone is available in chemical formula page of Dibenzosuberone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of Dibenzosuberone
The molecular weight of Dibenzosuberone is available in molecular weight page of Dibenzosuberone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of Dibenzosuberone
The Dibenzosuberone compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Dibenzosuberone including the various registry numbers, if available:
- TRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3(8),4,6,12,14-HEXAEN-2-ONE
- Amitriptyline Related Compound A, United States Pharmacopeia (USP) Reference Standard
- tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
- tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
- tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-one
- Dibenzosuberone, European Pharmacopoeia (EP) Reference Standard
- Z1250132499
- S14-0632
- 5H-Dibenzo[a,d]cyclohepten-5-one,10,11-dihydro-
- 10,11-dihydro-5H-dibenzo[a,d]-cyclohepten-5-one
- d]cyclohepten-5-one,10,11-dihydro-5h-dibenzo[a
- C-27467
- D1801
- P225
- HMS3087F23
- 8ETK71TH0H
- Dibenzo[a,4]dien-5-one
- 10,d]cyclohepten-5-one
- Dibenzosuberone, 98%
- 2,7-Dibenzosuberone
- DDCO
- 10,d]cycloheptanone
- Dibezosuberone
- d]cyclohepten-5-one,10,11-dihydro-5h-dibenzo[
- d)cyclohepten-5-one,10,11-dihydro-5h-dibenzo(
- 5,6-dihydrodibenzo[a,d][7]annulen-11-one
- CAS-1210-35-1
- 10,11-Dihydrodibenzo[a,d]cycloheptanone
- W-108463
- 10,11-Dihydro-5H-dibenzo[a,b]cyclohepten-5-one
- 10,11-Dihydrodibenzo[a,d]cyclohepten-5-one
- Dibenzo[a,d]cyclohepta[1,4]dien-5-one
- MFCD00003587
- 5H-Dibenzo(a,d)cyclohepten-5-one, 10,11-dihydro-
- Dibenzo[a,d]cycloheptadien-5-one
- 10,11-Dihydro-dibenzo[a,d]cyclohepten-5-one
- 10,11-Dihydrodibenzo(a,d)cyclohepten-5-one
- 10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-ONE
- 10,11-Dihydrodibenzo(a,d)cycloheptanone
- Dibenzo(a,d)cyclohepta(1,4)dien-5-one
- 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one
- 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one
- Dibenzo(b,f)cycloheptan-1-one
- 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-
- Dibenzo(a,d)cycloheptadien-5-one
- Dibenzocycloheptadienone
- 5-Dibenzosuberone
- 2,3:6,7-Dibenzosuberone
- Dibenzsuberone
- Dibenzocycloheptenone
- Dibenzosuberan-5-one
- 1210-35-1
- Dibenzosuberone
Dibenzosuberone Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Dibenzosuberone? |
|---|
| C15H12O |
| How many atoms and what are the elements included the Dibenzosuberone molecule? |
| 28 atom(s) - 12 Hydrogen atom(s), 15 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Dibenzosuberone structure? |
| 30 bond(s) - 18 non-H bond(s), 13 multiple bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 seven-membered ring(s), 2 eleven-membered ring(s), and 1 ketone(s) (aromatic) |
| What’s the Dibenzosuberone’s molecular weight? |
| 208.25518 g/mol |
| What’s the SMILES code of Dibenzosuberone? |
| O=C2c1ccccc1CCc3ccccc23 |
| What’s the InChI string of Dibenzosuberone? |
| InChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2 |
| What’s the InChIKey code of Dibenzosuberone? |
| BMVWCPGVLSILMU-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).