dinaphthalen-1-yl(phenyl)arsane

C26H19As — CID 12755573

IUPACdinaphthalen-1-yl(phenyl)arsane
SMILESc1ccc([As](c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H19As/c1-2-14-22(15-3-1)27(25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26/h1-19H
InChIKeyJMUQOYPWQOWYSL-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.51
Rot. Bonds3

About dinaphthalen-1-yl(phenyl)arsane

dinaphthalen-1-yl(phenyl)arsane (PubChem CID 12755573) has the molecular formula C26H19As and a molecular weight of 406.36 g/mol. Its IUPAC name is dinaphthalen-1-yl(phenyl)arsane.

Molecular Properties

Compound Namedinaphthalen-1-yl(phenyl)arsane
PubChem CID12755573
Molecular FormulaC26H19As
Molecular Weight406.36 g/mol
Exact Mass406.07
IUPAC Namedinaphthalen-1-yl(phenyl)arsane
SMILESc1ccc([As](c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H19As/c1-2-14-22(15-3-1)27(25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26/h1-19H
InChIKeyJMUQOYPWQOWYSL-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-yl(phenyl)arsane?
The IUPAC name of dinaphthalen-1-yl(phenyl)arsane (CID 12755573) is dinaphthalen-1-yl(phenyl)arsane.
What is the SMILES notation for dinaphthalen-1-yl(phenyl)arsane?
The canonical SMILES for dinaphthalen-1-yl(phenyl)arsane is c1ccc([As](c2cccc3ccccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of dinaphthalen-1-yl(phenyl)arsane?
The InChIKey is JMUQOYPWQOWYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19As/c1-2-14-22(15-3-1)27(25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26/h1-19H.
What are the key properties of dinaphthalen-1-yl(phenyl)arsane?
dinaphthalen-1-yl(phenyl)arsane has a molecular weight of 406.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-yl(phenyl)arsane is sourced from PubChem (CID 12755573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).