diphenylarsorylbenzene

C18H15AsO — CID 14382

IUPACdiphenylarsorylbenzene
SMILESO=[As](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15AsO/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyCLVJBRYGLQNRDA-UHFFFAOYSA-N
MW322.24 g/mol
LogP2.08
Rot. Bonds3

About diphenylarsorylbenzene

diphenylarsorylbenzene (PubChem CID 14382) has the molecular formula C18H15AsO and a molecular weight of 322.24 g/mol. Its IUPAC name is diphenylarsorylbenzene.

Molecular Properties

Compound Namediphenylarsorylbenzene
PubChem CID14382
Molecular FormulaC18H15AsO
Molecular Weight322.24 g/mol
Exact Mass322.03
IUPAC Namediphenylarsorylbenzene
SMILESO=[As](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15AsO/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyCLVJBRYGLQNRDA-UHFFFAOYSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 diphenylarsorylbenzene?
The IUPAC name of diphenylarsorylbenzene (CID 14382) is diphenylarsorylbenzene.
What is the SMILES notation for diphenylarsorylbenzene?
The canonical SMILES for diphenylarsorylbenzene is O=[As](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylarsorylbenzene?
The InChIKey is CLVJBRYGLQNRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15AsO/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of diphenylarsorylbenzene?
diphenylarsorylbenzene has a molecular weight of 322.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylarsorylbenzene is sourced from PubChem (CID 14382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).