diiodo-tris(4-methoxyphenyl)-lambda5-arsane

C21H21AsI2O3 — CID 11828429

IUPACdiiodo-tris(4-methoxyphenyl)-lambda5-arsane
SMILESCOc1ccc([As](I)(I)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21AsI2O3/c1-25-19-10-4-16(5-11-19)22(23,24,17-6-12-20(26-2)13-7-17)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3
InChIKeyDBXKAVSEKSNMJH-UHFFFAOYSA-N
MW650.13 g/mol
LogP4.00
Rot. Bonds6

About diiodo-tris(4-methoxyphenyl)-lambda5-arsane

diiodo-tris(4-methoxyphenyl)-lambda5-arsane (PubChem CID 11828429) has the molecular formula C21H21AsI2O3 and a molecular weight of 650.13 g/mol. Its IUPAC name is diiodo-tris(4-methoxyphenyl)-lambda5-arsane.

Molecular Properties

Compound Namediiodo-tris(4-methoxyphenyl)-lambda5-arsane
PubChem CID11828429
Molecular FormulaC21H21AsI2O3
Molecular Weight650.13 g/mol
Exact Mass649.88
IUPAC Namediiodo-tris(4-methoxyphenyl)-lambda5-arsane
SMILESCOc1ccc([As](I)(I)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21AsI2O3/c1-25-19-10-4-16(5-11-19)22(23,24,17-6-12-20(26-2)13-7-17)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3
InChIKeyDBXKAVSEKSNMJH-UHFFFAOYSA-N
XLogP4.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.13
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 136674675
CID 136674675
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
1-(113C)methoxy-4-methylbenzene
CID 166176950
(4-methoxyphenoxy) hypoiodite
CID 145476499
[(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate
CID 87786699
(4-methoxyphenyl) nitrite
CID 118559618
CID 12607295
CID 12607295
(4-methoxyphenyl)silane
CID 100998160
CID 154175564
CID 154175564
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846
(4-methoxyphenyl)azanium iodide
CID 139080030
zinc 1-methanidyl-4-methoxybenzene
CID 22139715

Frequently Asked Questions

What is the IUPAC name of diiodo-tris(4-methoxyphenyl)-lambda5-arsane?
The IUPAC name of diiodo-tris(4-methoxyphenyl)-lambda5-arsane (CID 11828429) is diiodo-tris(4-methoxyphenyl)-lambda5-arsane.
What is the SMILES notation for diiodo-tris(4-methoxyphenyl)-lambda5-arsane?
The canonical SMILES for diiodo-tris(4-methoxyphenyl)-lambda5-arsane is COc1ccc([As](I)(I)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of diiodo-tris(4-methoxyphenyl)-lambda5-arsane?
The InChIKey is DBXKAVSEKSNMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21AsI2O3/c1-25-19-10-4-16(5-11-19)22(23,24,17-6-12-20(26-2)13-7-17)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3.
What are the key properties of diiodo-tris(4-methoxyphenyl)-lambda5-arsane?
diiodo-tris(4-methoxyphenyl)-lambda5-arsane has a molecular weight of 650.13 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diiodo-tris(4-methoxyphenyl)-lambda5-arsane is sourced from PubChem (CID 11828429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).