benzene;pentahydroiodide

C6H11I5 — CID 174382284

IUPACbenzene;pentahydroiodide
SMILESI.I.I.I.I.c1ccccc1
InChIInChI=1S/C6H6.5HI/c1-2-4-6-5-3-1;;;;;/h1-6H;5*1H
InChIKeyHFZWKORAPRNBIE-UHFFFAOYSA-N
MW717.67 g/mol
LogP4.78
Rot. Bonds

About benzene;pentahydroiodide

benzene;pentahydroiodide (PubChem CID 174382284) has the molecular formula C6H11I5 and a molecular weight of 717.67 g/mol. Its IUPAC name is benzene;pentahydroiodide.

Molecular Properties

Compound Namebenzene;pentahydroiodide
PubChem CID174382284
Molecular FormulaC6H11I5
Molecular Weight717.67 g/mol
Exact Mass717.61
IUPAC Namebenzene;pentahydroiodide
SMILESI.I.I.I.I.c1ccccc1
InChIInChI=1S/C6H6.5HI/c1-2-4-6-5-3-1;;;;;/h1-6H;5*1H
InChIKeyHFZWKORAPRNBIE-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500717.67
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzene;pentahydroiodide 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 benzene;pentahydroiodide?
The IUPAC name of benzene;pentahydroiodide (CID 174382284) is benzene;pentahydroiodide.
What is the SMILES notation for benzene;pentahydroiodide?
The canonical SMILES for benzene;pentahydroiodide is I.I.I.I.I.c1ccccc1.
What is the InChIKey of benzene;pentahydroiodide?
The InChIKey is HFZWKORAPRNBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.5HI/c1-2-4-6-5-3-1;;;;;/h1-6H;5*1H.
What are the key properties of benzene;pentahydroiodide?
benzene;pentahydroiodide has a molecular weight of 717.67 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;pentahydroiodide is sourced from PubChem (CID 174382284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).