phenylphosphanylidenetitanium(2+)

C6H5PTi+2 — CID 87675816

IUPACphenylphosphanylidenetitanium(2+)
SMILES[Ti+2]=Pc1ccccc1
InChIInChI=1S/C6H5P.Ti/c7-6-4-2-1-3-5-6;/h1-5H;/q;+2
InChIKeyDONCHYGCTKQISS-UHFFFAOYSA-N
MW155.95 g/mol
LogP1.72
Rot. Bonds1

About phenylphosphanylidenetitanium(2+)

phenylphosphanylidenetitanium(2+) (PubChem CID 87675816) has the molecular formula C6H5PTi+2 and a molecular weight of 155.95 g/mol. Its IUPAC name is phenylphosphanylidenetitanium(2+).

Molecular Properties

Compound Namephenylphosphanylidenetitanium(2+)
PubChem CID87675816
Molecular FormulaC6H5PTi+2
Molecular Weight155.95 g/mol
Exact Mass155.96
IUPAC Namephenylphosphanylidenetitanium(2+)
SMILES[Ti+2]=Pc1ccccc1
InChIInChI=1S/C6H5P.Ti/c7-6-4-2-1-3-5-6;/h1-5H;/q;+2
InChIKeyDONCHYGCTKQISS-UHFFFAOYSA-N
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.95
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 139251089
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Frequently Asked Questions

What is the IUPAC name of phenylphosphanylidenetitanium(2+)?
The IUPAC name of phenylphosphanylidenetitanium(2+) (CID 87675816) is phenylphosphanylidenetitanium(2+).
What is the SMILES notation for phenylphosphanylidenetitanium(2+)?
The canonical SMILES for phenylphosphanylidenetitanium(2+) is [Ti+2]=Pc1ccccc1.
What is the InChIKey of phenylphosphanylidenetitanium(2+)?
The InChIKey is DONCHYGCTKQISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5P.Ti/c7-6-4-2-1-3-5-6;/h1-5H;/q;+2.
What are the key properties of phenylphosphanylidenetitanium(2+)?
phenylphosphanylidenetitanium(2+) has a molecular weight of 155.95 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenylphosphanylidenetitanium(2+) is sourced from PubChem (CID 87675816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).