N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine

C91H102N2Si8 — CID 102397596

IUPACN,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine
SMILESC[Si](CC[Si](CC[Si](C)(c1ccccc1)c1ccccc1)(CC[Si](C)(c1ccccc1)c1ccccc1)N=C=N[Si](CC[Si](C)(c1ccccc1)c1ccccc1)(CC[Si](C)(c1ccccc1)c1ccccc1)CC[Si](C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C91H102N2Si8/c1-94(80-43-19-7-20-44-80,81-45-21-8-22-46-81)67-73-100(74-68-95(2,82-47-23-9-24-48-82)83-49-25-10-26-50-83,75-69-96(3,84-51-27-11-28-52-84)85-53-29-12-30-54-85)92-79-93-101(76-70-97(4,86-55-31-13-32-56-86)87-57-33-14-34-58-87,77-71-98(5,88-59-35-15-36-60-88)89-61-37-16-38-62-89)78-72-99(6,90-63-39-17-40-64-90)91-65-41-18-42-66-91/h7-66H,67-78H2,1-6H3
InChIKeyFLYWPMDRNKMDHU-UHFFFAOYSA-N
MW1448.52 g/mol
LogP16.41
Rot. Bonds32

About N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine

N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine (PubChem CID 102397596) has the molecular formula C91H102N2Si8 and a molecular weight of 1448.52 g/mol. Its IUPAC name is N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine.

Molecular Properties

Compound NameN,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine
PubChem CID102397596
Molecular FormulaC91H102N2Si8
Molecular Weight1448.52 g/mol
Exact Mass1446.62
IUPAC NameN,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine
SMILESC[Si](CC[Si](CC[Si](C)(c1ccccc1)c1ccccc1)(CC[Si](C)(c1ccccc1)c1ccccc1)N=C=N[Si](CC[Si](C)(c1ccccc1)c1ccccc1)(CC[Si](C)(c1ccccc1)c1ccccc1)CC[Si](C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C91H102N2Si8/c1-94(80-43-19-7-20-44-80,81-45-21-8-22-46-81)67-73-100(74-68-95(2,82-47-23-9-24-48-82)83-49-25-10-26-50-83,75-69-96(3,84-51-27-11-28-52-84)85-53-29-12-30-54-85)92-79-93-101(76-70-97(4,86-55-31-13-32-56-86)87-57-33-14-34-58-87,77-71-98(5,88-59-35-15-36-60-88)89-61-37-16-38-62-89)78-72-99(6,90-63-39-17-40-64-90)91-65-41-18-42-66-91/h7-66H,67-78H2,1-6H3
InChIKeyFLYWPMDRNKMDHU-UHFFFAOYSA-N
XLogP16.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001448.52
LogP ≤ 516.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine?
The IUPAC name of N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine (CID 102397596) is N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine.
What is the SMILES notation for N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine?
The canonical SMILES for N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine is C[Si](CC[Si](CC[Si](C)(c1ccccc1)c1ccccc1)(CC[Si](C)(c1ccccc1)c1ccccc1)N=C=N[Si](CC[Si](C)(c1ccccc1)c1ccccc1)(CC[Si](C)(c1ccccc1)c1ccccc1)CC[Si](C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine?
The InChIKey is FLYWPMDRNKMDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H102N2Si8/c1-94(80-43-19-7-20-44-80,81-45-21-8-22-46-81)67-73-100(74-68-95(2,82-47-23-9-24-48-82)83-49-25-10-26-50-83,75-69-96(3,84-51-27-11-28-52-84)85-53-29-12-30-54-85)92-79-93-101(76-70-97(4,86-55-31-13-32-56-86)87-57-33-14-34-58-87,77-71-98(5,88-59-35-15-36-60-88)89-61-37-16-38-62-89)78-72-99(6,90-63-39-17-40-64-90)91-65-41-18-42-66-91/h7-66H,67-78H2,1-6H3.
What are the key properties of N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine?
N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine has a molecular weight of 1448.52 g/mol, XLogP of 16.41, 32 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[tris[2-[methyl(diphenyl)silyl]ethyl]silyl]methanediimine is sourced from PubChem (CID 102397596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).