benzene;titanium(3+)

C18H15Ti — CID 14981133

IUPACbenzene;titanium(3+)
SMILES[Ti+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.Ti/c3*1-2-4-6-5-3-1;/h3*1-5H;/q3*-1;+3
InChIKeyHZKULNDBZXPPAD-UHFFFAOYSA-N
MW279.19 g/mol
LogP4.46
Rot. Bonds

About benzene;titanium(3+)

benzene;titanium(3+) (PubChem CID 14981133) has the molecular formula C18H15Ti and a molecular weight of 279.19 g/mol. Its IUPAC name is benzene;titanium(3+).

Molecular Properties

Compound Namebenzene;titanium(3+)
PubChem CID14981133
Molecular FormulaC18H15Ti
Molecular Weight279.19 g/mol
Exact Mass279.07
IUPAC Namebenzene;titanium(3+)
SMILES[Ti+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.Ti/c3*1-2-4-6-5-3-1;/h3*1-5H;/q3*-1;+3
InChIKeyHZKULNDBZXPPAD-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;titanium(3+)?
The IUPAC name of benzene;titanium(3+) (CID 14981133) is benzene;titanium(3+).
What is the SMILES notation for benzene;titanium(3+)?
The canonical SMILES for benzene;titanium(3+) is [Ti+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;titanium(3+)?
The InChIKey is HZKULNDBZXPPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.Ti/c3*1-2-4-6-5-3-1;/h3*1-5H;/q3*-1;+3.
What are the key properties of benzene;titanium(3+)?
benzene;titanium(3+) has a molecular weight of 279.19 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;titanium(3+) is sourced from PubChem (CID 14981133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).