diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate

C60H49IO7SSi4 — CID 158788055

IUPACdiphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate
SMILESO=S(=O)([O-])c1ccc([Si]2(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C48H40O7SSi4.C12H10I/c49-56(50,51)40-36-38-48(39-37-40)60(47-34-20-7-21-35-47)54-58(43-26-12-3-13-27-43,44-28-14-4-15-29-44)52-57(41-22-8-1-9-23-41,42-24-10-2-11-25-42)53-59(55-60,45-30-16-5-17-31-45)46-32-18-6-19-33-46;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-39H,(H,49,50,51);1-10H/q;+1/p-1
InChIKeyIRXVGZNJPKSBRZ-UHFFFAOYSA-M
MW1153.36 g/mol
LogP3.81
Rot. Bonds11

About diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate

diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate (PubChem CID 158788055) has the molecular formula C60H49IO7SSi4 and a molecular weight of 1153.36 g/mol. Its IUPAC name is diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate.

Molecular Properties

Compound Namediphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate
PubChem CID158788055
Molecular FormulaC60H49IO7SSi4
Molecular Weight1153.36 g/mol
Exact Mass1152.13
IUPAC Namediphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate
SMILESO=S(=O)([O-])c1ccc([Si]2(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C48H40O7SSi4.C12H10I/c49-56(50,51)40-36-38-48(39-37-40)60(47-34-20-7-21-35-47)54-58(43-26-12-3-13-27-43,44-28-14-4-15-29-44)52-57(41-22-8-1-9-23-41,42-24-10-2-11-25-42)53-59(55-60,45-30-16-5-17-31-45)46-32-18-6-19-33-46;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-39H,(H,49,50,51);1-10H/q;+1/p-1
InChIKeyIRXVGZNJPKSBRZ-UHFFFAOYSA-M
XLogP3.81
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001153.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate?
The IUPAC name of diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate (CID 158788055) is diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate.
What is the SMILES notation for diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate?
The canonical SMILES for diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate is O=S(=O)([O-])c1ccc([Si]2(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1.c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate?
The InChIKey is IRXVGZNJPKSBRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C48H40O7SSi4.C12H10I/c49-56(50,51)40-36-38-48(39-37-40)60(47-34-20-7-21-35-47)54-58(43-26-12-3-13-27-43,44-28-14-4-15-29-44)52-57(41-22-8-1-9-23-41,42-24-10-2-11-25-42)53-59(55-60,45-30-16-5-17-31-45)46-32-18-6-19-33-46;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-39H,(H,49,50,51);1-10H/q;+1/p-1.
What are the key properties of diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate?
diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate has a molecular weight of 1153.36 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyliodanium;4-(2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)benzenesulfonate is sourced from PubChem (CID 158788055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).