Formula of INDOLE-3-ALDEHYDE AZINE (C18H14N4)
Identification of INDOLE-3-ALDEHYDE AZINE Chemical Compound
Chemical Formula | C18H14N4 |
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Molecular Weight | 286.33056 g/mol |
IUPAC Name | (3Z)-3-({2-[(3Z)-3H-indol-3-ylidenemethyl]hydrazin-1-yl}methylidene)-3H-indole |
SMILES String | N(NC=C1C=Nc2ccccc12)C=C3C=Nc4ccccc34 |
InChI | InChI=1S/C18H14N4/c1-3-7-17-15(5-1)13(9-19-17)11-21-22-12-14-10-20-18-8-4-2-6-16(14)18/h1-12,21-22H/b13-11+,14-12+ |
InChIKey | LRHZFOCENRPDTE-PHEQNACWSA-N |
Chemical Formula Description
The INDOLE-3-ALDEHYDE AZINE molecule contains a total of 36 atom(s). There are 14 Hydrogen atom(s), 18 Carbon atom(s), and 4 Nitrogen atom(s). A chemical formula of INDOLE-3-ALDEHYDE AZINE can therefore be written as:
C18H14N4
The chemical formula of INDOLE-3-ALDEHYDE AZINE shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying INDOLE-3-ALDEHYDE AZINE Molecule
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Structure Data File (SDF/MOL File) of INDOLE-3-ALDEHYDE AZINE
The structure data file (SDF/MOL File) of INDOLE-3-ALDEHYDE AZINE is available for download in the SDF page of INDOLE-3-ALDEHYDE AZINE providing the information about the atoms, bonds, connectivity and coordinates of INDOLE-3-ALDEHYDE AZINE, which is not completely available in the chemical formula representation. The INDOLE-3-ALDEHYDE AZINE structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of INDOLE-3-ALDEHYDE AZINE
The chemical structure image of INDOLE-3-ALDEHYDE AZINE is available in chemical structure page of INDOLE-3-ALDEHYDE AZINE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of INDOLE-3-ALDEHYDE AZINE and the chemical bonds that hold the atoms together.
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Molecular weight of INDOLE-3-ALDEHYDE AZINE
The molecular weight of INDOLE-3-ALDEHYDE AZINE is available in molecular weight page of INDOLE-3-ALDEHYDE AZINE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of INDOLE-3-ALDEHYDE AZINE.
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InChI (IUPAC International Chemical Identifier) information of INDOLE-3-ALDEHYDE AZINE
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of INDOLE-3-ALDEHYDE AZINE is:
InChI=1S/C18H14N4/c1-3-7-17-15(5-1)13(9-19-17)11-21-22-12-14-10-20-18-8-4-2-6-16(14)18/h1-12,21-22H/b13-11+,14-12+
It can provide a standard way to encode the molecular information of INDOLE-3-ALDEHYDE AZINE 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 INDOLE-3-ALDEHYDE AZINE is:
InChIKey=LRHZFOCENRPDTE-PHEQNACWSA-N
The InChIKey may allow easier web searches for INDOLE-3-ALDEHYDE AZINE, but it needs to be linked to the full InChI to get back to the original structure of the INDOLE-3-ALDEHYDE AZINE since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of INDOLE-3-ALDEHYDE AZINE
The INDOLE-3-ALDEHYDE AZINE compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of INDOLE-3-ALDEHYDE AZINE including the registry numbers is given below, if available:
- (3Z)-3-({2-[(3Z)-INDOL-3-YLIDENEMETHYL]HYDRAZIN-1-YL}METHYLIDENE)INDOLE
- 3,3'-[(1E,2E)-hydrazine-1,2-diylidenedi(E)methylylidene]bis(1H-indole)
- (1Z,3E)-1,4-diindol-3-yl-2,3-diazabuta-1,3-diene
- 1,2-bis[(Z)-indol-3-ylidenemethyl]hydrazine
- 1,2-Bis((1H-indol-3-yl)methylene)hydrazine
- 1233-49-4
- 3-INDOLECARBOXYLALDEHYDE, AZINE
- Bis-indole-3-aldehyde hydrazone
- INDOLE-3-ALDEHYDE AZINE
INDOLE-3-ALDEHYDE AZINE Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of INDOLE-3-ALDEHYDE AZINE? |
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C18H14N4 |
How many atoms and what are they in the INDOLE-3-ALDEHYDE AZINE structure? |
36 atom(s) - 14 Hydrogen atom(s), 18 Carbon atom(s), and 4 Nitrogen atom(s) |
How many chemical bonds and what are they in the INDOLE-3-ALDEHYDE AZINE structure? |
39 bond(s) - 25 non-H bond(s), 16 multiple bond(s), 3 rotatable bond(s), 4 double bond(s), 12 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 2 imine(s) (aliphatic), and 1 N hydrazine(s) |
What’s the molecular weight of INDOLE-3-ALDEHYDE AZINE? |
286.33056 g/mol |
What’s the SMILES string of INDOLE-3-ALDEHYDE AZINE? |
N(NC=C1C=Nc2ccccc12)C=C3C=Nc4ccccc34 |
What’s the InChI of INDOLE-3-ALDEHYDE AZINE? |
InChI=1S/C18H14N4/c1-3-7-17-15(5-1)13(9-19-17)11-21-22-12-14-10-20-18-8-4-2-6-16(14)18/h1-12,21-22H/b13-11+,14-12+ |
What’s the InChIKey of INDOLE-3-ALDEHYDE AZINE? |
LRHZFOCENRPDTE-PHEQNACWSA-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).