benzene;triiodotitanium(1+)

C6H5I3Ti — CID 18688400

IUPACbenzene;triiodotitanium(1+)
SMILESI[Ti+](I)I.[c-]1ccccc1
InChIInChI=1S/C6H5.3HI.Ti/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q-1;;;;+4/p-3
InChIKeyDRFTZFGCRRUPMG-UHFFFAOYSA-K
MW505.69 g/mol
LogP4.14
Rot. Bonds

About benzene;triiodotitanium(1+)

benzene;triiodotitanium(1+) (PubChem CID 18688400) has the molecular formula C6H5I3Ti and a molecular weight of 505.69 g/mol. Its IUPAC name is benzene;triiodotitanium(1+).

Molecular Properties

Compound Namebenzene;triiodotitanium(1+)
PubChem CID18688400
Molecular FormulaC6H5I3Ti
Molecular Weight505.69 g/mol
Exact Mass505.70
IUPAC Namebenzene;triiodotitanium(1+)
SMILESI[Ti+](I)I.[c-]1ccccc1
InChIInChI=1S/C6H5.3HI.Ti/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q-1;;;;+4/p-3
InChIKeyDRFTZFGCRRUPMG-UHFFFAOYSA-K
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.69
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;triiodotitanium(1+)?
The IUPAC name of benzene;triiodotitanium(1+) (CID 18688400) is benzene;triiodotitanium(1+).
What is the SMILES notation for benzene;triiodotitanium(1+)?
The canonical SMILES for benzene;triiodotitanium(1+) is I[Ti+](I)I.[c-]1ccccc1.
What is the InChIKey of benzene;triiodotitanium(1+)?
The InChIKey is DRFTZFGCRRUPMG-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H5.3HI.Ti/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q-1;;;;+4/p-3.
What are the key properties of benzene;triiodotitanium(1+)?
benzene;triiodotitanium(1+) has a molecular weight of 505.69 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;triiodotitanium(1+) is sourced from PubChem (CID 18688400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).