1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide

C45H69N3O3Si3 — CID 11767918

About 1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide (PubChem CID 11767918) has the molecular formula C45H69N3O3Si3 and a molecular weight of 784.32 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide.

Molecular Properties

• Compound Name: 1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide
• PubChem CID: 11767918
• Molecular Formula: C45H69N3O3Si3
• Molecular Weight: 784.32 g/mol
• Exact Mass: 783.46
• IUPAC Name: 1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide
• SMILES: C=CC[Si](CC=C)(CC=C)CCCNC(=O)c1cc(C(=O)NCCC[Si](CC=C)(CC=C)CC=C)cc(C(=O)NCCC[Si](CC=C)(CC=C)CC=C)c1
• InChI: InChI=1S/C45H69N3O3Si3/c1-10-25-52(26-11-2,27-12-3)34-19-22-46-43(49)40-37-41(44(50)47-23-20-35-53(28-13-4,29-14-5)30-15-6)39-42(38-40)45(51)48-24-21-36-54(31-16-7,32-17-8)33-18-9/h10-18,37-39H,1-9,19-36H2,(H,46,49)(H,47,50)(H,48,51)
• InChIKey: SYHOPFPJQITMDD-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 87.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 33
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.32
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide?

The IUPAC name of 1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide (CID 11767918) is 1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide.

What is the SMILES notation for 1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide?

The canonical SMILES for 1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide is C=CC[Si](CC=C)(CC=C)CCCNC(=O)c1cc(C(=O)NCCC[Si](CC=C)(CC=C)CC=C)cc(C(=O)NCCC[Si](CC=C)(CC=C)CC=C)c1.

What is the InChIKey of 1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide?

The InChIKey is SYHOPFPJQITMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H69N3O3Si3/c1-10-25-52(26-11-2,27-12-3)34-19-22-46-43(49)40-37-41(44(50)47-23-20-35-53(28-13-4,29-14-5)30-15-6)39-42(38-40)45(51)48-24-21-36-54(31-16-7,32-17-8)33-18-9/h10-18,37-39H,1-9,19-36H2,(H,46,49)(H,47,50)(H,48,51).

What are the key properties of 1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide?

1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide has a molecular weight of 784.32 g/mol, XLogP of 11.07, 33 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 11767918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).