2,6-diphenylarsinine

C17H13As — CID 86235300

IUPAC2,6-diphenylarsinine
SMILESC1=CC(c2ccccc2)=[As]C(c2ccccc2)=C1
InChIInChI=1S/C17H13As/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-13H
InChIKeyXVBBFBFSNYNMEQ-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.52
Rot. Bonds2

About 2,6-diphenylarsinine

2,6-diphenylarsinine (PubChem CID 86235300) has the molecular formula C17H13As and a molecular weight of 292.21 g/mol. Its IUPAC name is 2,6-diphenylarsinine.

Molecular Properties

Compound Name2,6-diphenylarsinine
PubChem CID86235300
Molecular FormulaC17H13As
Molecular Weight292.21 g/mol
Exact Mass292.02
IUPAC Name2,6-diphenylarsinine
SMILESC1=CC(c2ccccc2)=[As]C(c2ccccc2)=C1
InChIInChI=1S/C17H13As/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-13H
InChIKeyXVBBFBFSNYNMEQ-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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benzene;tris(1,1'-biphenyl)
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1,1'-biphenyl;hydrofluoride
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bis(1,1'-biphenyl);sulfane
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CID 53446764
CID 53446764
1,1'-biphenyl;indigane
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benzene;bis(1,1'-biphenyl);methane
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1,1'-biphenyl;hydroiodide
CID 66586334
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
CID 162140615
CID 162140615
2-phenyl-9bH-phenalene
CID 58645169

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenylarsinine?
The IUPAC name of 2,6-diphenylarsinine (CID 86235300) is 2,6-diphenylarsinine.
What is the SMILES notation for 2,6-diphenylarsinine?
The canonical SMILES for 2,6-diphenylarsinine is C1=CC(c2ccccc2)=[As]C(c2ccccc2)=C1.
What is the InChIKey of 2,6-diphenylarsinine?
The InChIKey is XVBBFBFSNYNMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13As/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 2,6-diphenylarsinine?
2,6-diphenylarsinine has a molecular weight of 292.21 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenylarsinine is sourced from PubChem (CID 86235300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).