[1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane

C24H22FN3Si — CID 135066370

IUPAC[1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane
SMILESC[Si](C)(C)C(=C=C(c1ccccc1)c1ccc(F)cc1)n1nnc2ccccc21
InChIInChI=1S/C24H22FN3Si/c1-29(2,3)24(28-23-12-8-7-11-22(23)26-27-28)17-21(18-9-5-4-6-10-18)19-13-15-20(25)16-14-19/h4-16H,1-3H3
InChIKeySVUZXEORMXHSSM-UHFFFAOYSA-N
MW399.55 g/mol
LogP6.02
Rot. Bonds4

About [1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane

[1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane (PubChem CID 135066370) has the molecular formula C24H22FN3Si and a molecular weight of 399.55 g/mol. Its IUPAC name is [1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane
PubChem CID135066370
Molecular FormulaC24H22FN3Si
Molecular Weight399.55 g/mol
Exact Mass399.16
IUPAC Name[1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane
SMILESC[Si](C)(C)C(=C=C(c1ccccc1)c1ccc(F)cc1)n1nnc2ccccc21
InChIInChI=1S/C24H22FN3Si/c1-29(2,3)24(28-23-12-8-7-11-22(23)26-27-28)17-21(18-9-5-4-6-10-18)19-13-15-20(25)16-14-19/h4-16H,1-3H3
InChIKeySVUZXEORMXHSSM-UHFFFAOYSA-N
XLogP6.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.55
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane 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 [1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane?
The IUPAC name of [1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane (CID 135066370) is [1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane.
What is the SMILES notation for [1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane?
The canonical SMILES for [1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane is C[Si](C)(C)C(=C=C(c1ccccc1)c1ccc(F)cc1)n1nnc2ccccc21.
What is the InChIKey of [1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane?
The InChIKey is SVUZXEORMXHSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3Si/c1-29(2,3)24(28-23-12-8-7-11-22(23)26-27-28)17-21(18-9-5-4-6-10-18)19-13-15-20(25)16-14-19/h4-16H,1-3H3.
What are the key properties of [1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane?
[1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane has a molecular weight of 399.55 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzotriazol-1-yl)-3-(4-fluorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane is sourced from PubChem (CID 135066370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).