2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine

C70H73N3O3Si3 — CID 141302709

IUPAC2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine
SMILESCCCC(=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(C)=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C70H73N3O3Si3/c1-3-31-69(72-75-78(53-63-38-19-7-20-39-63,54-64-40-21-8-22-41-64)55-65-42-23-9-24-43-65)70(73-76-79(56-66-44-25-10-26-45-66,57-67-46-27-11-28-47-67)58-68-48-29-12-30-49-68)59(2)71-74-77(50-60-32-13-4-14-33-60,51-61-34-15-5-16-35-61)52-62-36-17-6-18-37-62/h4-30,32-49H,3,31,50-58H2,1-2H3
InChIKeyUAUWBBYBQVAUAQ-UHFFFAOYSA-N
MW1088.63 g/mol
LogP15.80
Rot. Bonds28

About 2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine

2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine (PubChem CID 141302709) has the molecular formula C70H73N3O3Si3 and a molecular weight of 1088.63 g/mol. Its IUPAC name is 2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine.

Molecular Properties

Compound Name2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine
PubChem CID141302709
Molecular FormulaC70H73N3O3Si3
Molecular Weight1088.63 g/mol
Exact Mass1087.50
IUPAC Name2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine
SMILESCCCC(=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(C)=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C70H73N3O3Si3/c1-3-31-69(72-75-78(53-63-38-19-7-20-39-63,54-64-40-21-8-22-41-64)55-65-42-23-9-24-43-65)70(73-76-79(56-66-44-25-10-26-45-66,57-67-46-27-11-28-47-67)58-68-48-29-12-30-49-68)59(2)71-74-77(50-60-32-13-4-14-33-60,51-61-34-15-5-16-35-61)52-62-36-17-6-18-37-62/h4-30,32-49H,3,31,50-58H2,1-2H3
InChIKeyUAUWBBYBQVAUAQ-UHFFFAOYSA-N
XLogP15.80
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001088.63
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine 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 2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine?
The IUPAC name of 2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine (CID 141302709) is 2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine.
What is the SMILES notation for 2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine?
The canonical SMILES for 2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine is CCCC(=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(C)=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine?
The InChIKey is UAUWBBYBQVAUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H73N3O3Si3/c1-3-31-69(72-75-78(53-63-38-19-7-20-39-63,54-64-40-21-8-22-41-64)55-65-42-23-9-24-43-65)70(73-76-79(56-66-44-25-10-26-45-66,57-67-46-27-11-28-47-67)58-68-48-29-12-30-49-68)59(2)71-74-77(50-60-32-13-4-14-33-60,51-61-34-15-5-16-35-61)52-62-36-17-6-18-37-62/h4-30,32-49H,3,31,50-58H2,1-2H3.
What are the key properties of 2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine?
2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine has a molecular weight of 1088.63 g/mol, XLogP of 15.80, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine is sourced from PubChem (CID 141302709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).