bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+)

C48H42N2O4Si2Ti — CID 139128848

IUPACbis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+)
SMILES[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[Ti+4]
InChIInChI=1S/2C18H15OSi.2C6H6NO.Ti/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*8-5-6-3-1-2-4-7-6;/h2*1-15H;2*1-4H,5H2;/q4*-1;+4
InChIKeyPGOLJHHOTWHFJN-UHFFFAOYSA-N
MW814.91 g/mol
LogP1.91
Rot. Bonds8

About bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+)

bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+) (PubChem CID 139128848) has the molecular formula C48H42N2O4Si2Ti and a molecular weight of 814.91 g/mol. Its IUPAC name is bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+).

Molecular Properties

Compound Namebis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+)
PubChem CID139128848
Molecular FormulaC48H42N2O4Si2Ti
Molecular Weight814.91 g/mol
Exact Mass814.22
IUPAC Namebis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+)
SMILES[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[Ti+4]
InChIInChI=1S/2C18H15OSi.2C6H6NO.Ti/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*8-5-6-3-1-2-4-7-6;/h2*1-15H;2*1-4H,5H2;/q4*-1;+4
InChIKeyPGOLJHHOTWHFJN-UHFFFAOYSA-N
XLogP1.91
TPSA118.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500814.91
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+) 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 bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+)?
The IUPAC name of bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+) (CID 139128848) is bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+).
What is the SMILES notation for bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+)?
The canonical SMILES for bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+) is [O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[Ti+4].
What is the InChIKey of bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+)?
The InChIKey is PGOLJHHOTWHFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15OSi.2C6H6NO.Ti/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*8-5-6-3-1-2-4-7-6;/h2*1-15H;2*1-4H,5H2;/q4*-1;+4.
What are the key properties of bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+)?
bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+) has a molecular weight of 814.91 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxido(triphenyl)silane);bis(pyridin-2-ylmethanolate);titanium(4+) is sourced from PubChem (CID 139128848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).