1,2,3,4-tetraphenyltetraarsecane

C30H32As4 — CID 21113669

IUPAC1,2,3,4-tetraphenyltetraarsecane
SMILESc1ccc([As]2CCCCCC[As](c3ccccc3)[As](c3ccccc3)[As]2c2ccccc2)cc1
InChIInChI=1S/C30H32As4/c1-2-16-26-32(28-19-9-4-10-20-28)34(30-23-13-6-14-24-30)33(29-21-11-5-12-22-29)31(25-15-1)27-17-7-3-8-18-27/h3-14,17-24H,1-2,15-16,25-26H2
InChIKeyACAQDUVHBKDDRE-UHFFFAOYSA-N
MW692.27 g/mol
LogP4.40
Rot. Bonds4

About 1,2,3,4-tetraphenyltetraarsecane

1,2,3,4-tetraphenyltetraarsecane (PubChem CID 21113669) has the molecular formula C30H32As4 and a molecular weight of 692.27 g/mol. Its IUPAC name is 1,2,3,4-tetraphenyltetraarsecane.

Molecular Properties

Compound Name1,2,3,4-tetraphenyltetraarsecane
PubChem CID21113669
Molecular FormulaC30H32As4
Molecular Weight692.27 g/mol
Exact Mass691.94
IUPAC Name1,2,3,4-tetraphenyltetraarsecane
SMILESc1ccc([As]2CCCCCC[As](c3ccccc3)[As](c3ccccc3)[As]2c2ccccc2)cc1
InChIInChI=1S/C30H32As4/c1-2-16-26-32(28-19-9-4-10-20-28)34(30-23-13-6-14-24-30)33(29-21-11-5-12-22-29)31(25-15-1)27-17-7-3-8-18-27/h3-14,17-24H,1-2,15-16,25-26H2
InChIKeyACAQDUVHBKDDRE-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500692.27
LogP ≤ 54.40
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 1,2,3,4-tetraphenyltetraarsecane?
The IUPAC name of 1,2,3,4-tetraphenyltetraarsecane (CID 21113669) is 1,2,3,4-tetraphenyltetraarsecane.
What is the SMILES notation for 1,2,3,4-tetraphenyltetraarsecane?
The canonical SMILES for 1,2,3,4-tetraphenyltetraarsecane is c1ccc([As]2CCCCCC[As](c3ccccc3)[As](c3ccccc3)[As]2c2ccccc2)cc1.
What is the InChIKey of 1,2,3,4-tetraphenyltetraarsecane?
The InChIKey is ACAQDUVHBKDDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32As4/c1-2-16-26-32(28-19-9-4-10-20-28)34(30-23-13-6-14-24-30)33(29-21-11-5-12-22-29)31(25-15-1)27-17-7-3-8-18-27/h3-14,17-24H,1-2,15-16,25-26H2.
What are the key properties of 1,2,3,4-tetraphenyltetraarsecane?
1,2,3,4-tetraphenyltetraarsecane has a molecular weight of 692.27 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraphenyltetraarsecane is sourced from PubChem (CID 21113669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).