triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane

C100H82O4Si4 — CID 139887823

About triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane

triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane (PubChem CID 139887823) has the molecular formula C100H82O4Si4 and a molecular weight of 1460.10 g/mol. Its IUPAC name is triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane.

Molecular Properties

• Compound Name: triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane
• PubChem CID: 139887823
• Molecular Formula: C100H82O4Si4
• Molecular Weight: 1460.10 g/mol
• Exact Mass: 1458.53
• IUPAC Name: triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane
• SMILES: c1ccc([Si](Oc2ccc(C(CCC(c3ccc(O[Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc(O[Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc(O[Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C100H82O4Si4/c1-13-37-87(38-14-1)105(88-39-15-2-16-40-88,89-41-17-3-18-42-89)101-83-69-61-79(62-70-83)99(80-63-71-84(72-64-80)102-106(90-43-19-4-20-44-90,91-45-21-5-22-46-91)92-47-23-6-24-48-92)77-78-100(81-65-73-85(74-66-81)103-107(93-49-25-7-26-50-93,94-51-27-8-28-52-94)95-53-29-9-30-54-95)82-67-75-86(76-68-82)104-108(96-55-31-10-32-56-96,97-57-33-11-34-58-97)98-59-35-12-36-60-98/h1-76,99-100H,77-78H2
• InChIKey: GBUAKPCMRMCXSX-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 27
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1460.10
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane?

The IUPAC name of triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane (CID 139887823) is triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane.

What is the SMILES notation for triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane?

The canonical SMILES for triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane is c1ccc([Si](Oc2ccc(C(CCC(c3ccc(O[Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc(O[Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc(O[Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane?

The InChIKey is GBUAKPCMRMCXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H82O4Si4/c1-13-37-87(38-14-1)105(88-39-15-2-16-40-88,89-41-17-3-18-42-89)101-83-69-61-79(62-70-83)99(80-63-71-84(72-64-80)102-106(90-43-19-4-20-44-90,91-45-21-5-22-46-91)92-47-23-6-24-48-92)77-78-100(81-65-73-85(74-66-81)103-107(93-49-25-7-26-50-93,94-51-27-8-28-52-94)95-53-29-9-30-54-95)82-67-75-86(76-68-82)104-108(96-55-31-10-32-56-96,97-57-33-11-34-58-97)98-59-35-12-36-60-98/h1-76,99-100H,77-78H2.

What are the key properties of triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane?

triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane has a molecular weight of 1460.10 g/mol, XLogP of 15.61, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane is sourced from PubChem (CID 139887823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).