SDF/Mol File of 5,6-dihydro-4h-dibenz-[a,kl]anthracene (C21H16)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 5,6-dihydro-4h-dibenz-[a,kl]anthracene Molecule

• Chemical structure of 5,6-dihydro-4h-dibenz-[a,kl]anthracene

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 5,6-dihydro-4h-dibenz-[a,kl]anthracene is available in chemical structure page of 5,6-dihydro-4h-dibenz-[a,kl]anthracene, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 5,6-dihydro-4h-dibenz-[a,kl]anthracene

  The molecular weight of 5,6-dihydro-4h-dibenz-[a,kl]anthracene is available in molecular weight page of 5,6-dihydro-4h-dibenz-[a,kl]anthracene, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of 5,6-dihydro-4h-dibenz-[a,kl]anthracene

  The chemical formula of 5,6-dihydro-4h-dibenz-[a,kl]anthracene is given in chemical formula page of 5,6-dihydro-4h-dibenz-[a,kl]anthracene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of 5,6-dihydro-4h-dibenz-[a,kl]anthracene

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 5,6-dihydro-4h-dibenz-[a,kl]anthracene is:

  InChI=1S/C21H16/c1-2-9-18-14(5-1)11-12-17-13-16-8-3-6-15-7-4-10-19(20(15)16)21(17)18/h1-2,4-5,7,9-13H,3,6,8H2

  It can provide a standard way to encode the molecular information of 5,6-dihydro-4h-dibenz-[a,kl]anthracene 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 5,6-dihydro-4h-dibenz-[a,kl]anthracene is:

  InChIKey=CQBUZOZBDTVHSL-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 5,6-dihydro-4h-dibenz-[a,kl]anthracene, but it needs to be linked to the full InChI to get back to the original structure of the 5,6-dihydro-4h-dibenz-[a,kl]anthracene since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 5,6-dihydro-4h-dibenz-[a,kl]anthracene

  The 5,6-dihydro-4h-dibenz-[a,kl]anthracene compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 5,6-dihydro-4h-dibenz-[a,kl]anthracene including the registry numbers are listed below, if available:

  • 5,6-Dihydro-4H-dibenzo[a,kl]anthracene #
  • 4H-Dibenz[a,kl]anthracene, 5,6-dihydro-
  • 5,6-dihydro-4h-dibenz-[a,kl]anthracene

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5,6-dihydro-4h-dibenz-[a,kl]anthracene Identification Summary Frequently Asked Questions (FAQs)

What’s the 5,6-dihydro-4h-dibenz-[a,kl]anthracene formula?
C21H16
How many atoms and what elements are included in the 5,6-dihydro-4h-dibenz-[a,kl]anthracene molecule?
37 atom(s) - 16 Hydrogen atom(s) and 21 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the 5,6-dihydro-4h-dibenz-[a,kl]anthracene structure?
41 bond(s) - 25 non-H bond(s), 21 multiple bond(s), 21 aromatic bond(s), 5 six-membered ring(s), 5 ten-membered ring(s), and 1 twelve-membered ring(s)
What’s the 5,6-dihydro-4h-dibenz-[a,kl]anthracene’s molar mass?
268.35174 g/mol
What’s the SMILES structure of 5,6-dihydro-4h-dibenz-[a,kl]anthracene?
C2Cc1cccc4c1c(C2)cc5ccc3ccccc3c45
What’s the InChI code of 5,6-dihydro-4h-dibenz-[a,kl]anthracene?
InChI=1S/C21H16/c1-2-9-18-14(5-1)11-12-17-13-16-8-3-6-15-7-4-10-19(20(15)16)21(17)18/h1-2,4-5,7,9-13H,3,6,8H2
What’s the InChIKey format of 5,6-dihydro-4h-dibenz-[a,kl]anthracene?
CQBUZOZBDTVHSL-UHFFFAOYSA-N

24 The contents of this page can freely be shared if cited as follows:
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).