bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane

C120H100B5F5I10O10 — CID 141125031

IUPACbis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane
SMILESFB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1
InChIInChI=1S/5C24H20BFI2O2/c5*26-25(29-27(21-13-5-1-6-14-21)22-15-7-2-8-16-22)30-28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h5*1-20H
InChIKeyNZJIIJUUXRQDJD-UHFFFAOYSA-N
MW3120.20 g/mol
LogP36.48
Rot. Bonds40

About bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane

bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane (PubChem CID 141125031) has the molecular formula C120H100B5F5I10O10 and a molecular weight of 3120.20 g/mol. Its IUPAC name is bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane.

Molecular Properties

Compound Namebis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane
PubChem CID141125031
Molecular FormulaC120H100B5F5I10O10
Molecular Weight3120.20 g/mol
Exact Mass3119.81
IUPAC Namebis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane
SMILESFB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1
InChIInChI=1S/5C24H20BFI2O2/c5*26-25(29-27(21-13-5-1-6-14-21)22-15-7-2-8-16-22)30-28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h5*1-20H
InChIKeyNZJIIJUUXRQDJD-UHFFFAOYSA-N
XLogP36.48
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds40
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003120.20
LogP ≤ 536.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane?
The IUPAC name of bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane (CID 141125031) is bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane.
What is the SMILES notation for bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane?
The canonical SMILES for bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane is FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.FB(OI(c1ccccc1)c1ccccc1)OI(c1ccccc1)c1ccccc1.
What is the InChIKey of bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane?
The InChIKey is NZJIIJUUXRQDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/5C24H20BFI2O2/c5*26-25(29-27(21-13-5-1-6-14-21)22-15-7-2-8-16-22)30-28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h5*1-20H.
What are the key properties of bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane?
bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane has a molecular weight of 3120.20 g/mol, XLogP of 36.48, 40 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(diphenyl-λ3-iodanyl)oxy]-fluoroborane is sourced from PubChem (CID 141125031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).