titanium(4+) tetraphenoxide

C24H20O4Ti — CID 6451468

IUPACtitanium(4+) tetraphenoxide
SMILES[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[Ti+4]
InChIInChI=1S/4C6H6O.Ti/c4*7-6-4-2-1-3-5-6;/h4*1-5,7H;/q;;;;+4/p-4
InChIKeyDPNUIZVZBWBCPB-UHFFFAOYSA-J
MW420.29 g/mol
LogP3.04
Rot. Bonds

About titanium(4+) tetraphenoxide

titanium(4+) tetraphenoxide (PubChem CID 6451468) has the molecular formula C24H20O4Ti and a molecular weight of 420.29 g/mol. Its IUPAC name is titanium(4+) tetraphenoxide.

Molecular Properties

Compound Nametitanium(4+) tetraphenoxide
PubChem CID6451468
Molecular FormulaC24H20O4Ti
Molecular Weight420.29 g/mol
Exact Mass420.08
IUPAC Nametitanium(4+) tetraphenoxide
SMILES[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[Ti+4]
InChIInChI=1S/4C6H6O.Ti/c4*7-6-4-2-1-3-5-6;/h4*1-5,7H;/q;;;;+4/p-4
InChIKeyDPNUIZVZBWBCPB-UHFFFAOYSA-J
XLogP3.04
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of titanium(4+) tetraphenoxide?
The IUPAC name of titanium(4+) tetraphenoxide (CID 6451468) is titanium(4+) tetraphenoxide.
What is the SMILES notation for titanium(4+) tetraphenoxide?
The canonical SMILES for titanium(4+) tetraphenoxide is [O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[Ti+4].
What is the InChIKey of titanium(4+) tetraphenoxide?
The InChIKey is DPNUIZVZBWBCPB-UHFFFAOYSA-J. The full InChI is InChI=1S/4C6H6O.Ti/c4*7-6-4-2-1-3-5-6;/h4*1-5,7H;/q;;;;+4/p-4.
What are the key properties of titanium(4+) tetraphenoxide?
titanium(4+) tetraphenoxide has a molecular weight of 420.29 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(4+) tetraphenoxide is sourced from PubChem (CID 6451468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).