cyclohepta[a]naphthalene

C15H10 — CID 143335474

IUPACcyclohepta[a]naphthalene
SMILESC1=CC=Cc2c(ccc3ccccc23)C=1
InChIInChI=1S/C15H10/c1-2-6-12-10-11-13-7-4-5-9-15(13)14(12)8-3-1/h1,3-11H
InChIKeyQGMLMIHCLRSGDF-UHFFFAOYSA-N
MW190.24 g/mol
LogP4.03
Rot. Bonds

About cyclohepta[a]naphthalene

cyclohepta[a]naphthalene (PubChem CID 143335474) has the molecular formula C15H10 and a molecular weight of 190.24 g/mol. Its IUPAC name is cyclohepta[a]naphthalene.

Molecular Properties

Compound Namecyclohepta[a]naphthalene
PubChem CID143335474
Molecular FormulaC15H10
Molecular Weight190.24 g/mol
Exact Mass190.08
IUPAC Namecyclohepta[a]naphthalene
SMILESC1=CC=Cc2c(ccc3ccccc23)C=1
InChIInChI=1S/C15H10/c1-2-6-12-10-11-13-7-4-5-9-15(13)14(12)8-3-1/h1,3-11H
InChIKeyQGMLMIHCLRSGDF-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;9-methyl-9H-cyclohepta[a]naphthalene
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1,1-dihydroxybenzo[g][1]benzothiole
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CID 175958969
CID 175535051
CID 175535051
phenanthrene-1,2-dione;hydrate
CID 175517236
3H-benzo[e]indol-3-ium iodide
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ethane;methane;phenanthrene
CID 144938954

Frequently Asked Questions

What is the IUPAC name of cyclohepta[a]naphthalene?
The IUPAC name of cyclohepta[a]naphthalene (CID 143335474) is cyclohepta[a]naphthalene.
What is the SMILES notation for cyclohepta[a]naphthalene?
The canonical SMILES for cyclohepta[a]naphthalene is C1=CC=Cc2c(ccc3ccccc23)C=1.
What is the InChIKey of cyclohepta[a]naphthalene?
The InChIKey is QGMLMIHCLRSGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10/c1-2-6-12-10-11-13-7-4-5-9-15(13)14(12)8-3-1/h1,3-11H.
What are the key properties of cyclohepta[a]naphthalene?
cyclohepta[a]naphthalene has a molecular weight of 190.24 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[a]naphthalene is sourced from PubChem (CID 143335474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).