tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane

C120H122O4Si4 — CID 139887643

About tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane

tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane (PubChem CID 139887643) has the molecular formula C120H122O4Si4 and a molecular weight of 1740.64 g/mol. Its IUPAC name is tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane.

Molecular Properties

• Compound Name: tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane
• PubChem CID: 139887643
• Molecular Formula: C120H122O4Si4
• Molecular Weight: 1740.64 g/mol
• Exact Mass: 1738.84
• IUPAC Name: tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane
• SMILES: Cc1cc(C(CCC(c2cc(C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C)c2)c2cc(C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C)c2)c2cc(C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C)c2)cc(C)c1O[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C120H122O4Si4/c1-91-71-111(72-92(2)117(91)121-125(79-99-45-21-9-22-46-99,80-100-47-23-10-24-48-100)81-101-49-25-11-26-50-101)115(112-73-93(3)118(94(4)74-112)122-126(82-102-51-27-12-28-52-102,83-103-53-29-13-30-54-103)84-104-55-31-14-32-56-104)69-70-116(113-75-95(5)119(96(6)76-113)123-127(85-105-57-33-15-34-58-105,86-106-59-35-16-36-60-106)87-107-61-37-17-38-62-107)114-77-97(7)120(98(8)78-114)124-128(88-108-63-39-18-40-64-108,89-109-65-41-19-42-66-109)90-110-67-43-20-44-68-110/h9-68,71-78,115-116H,69-70,79-90H2,1-8H3
• InChIKey: SEEADNAGESWDQI-UHFFFAOYSA-N
• XLogP: 28.58
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 39
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1740.64
LogP ≤ 5	28.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane?

The IUPAC name of tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane (CID 139887643) is tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane.

What is the SMILES notation for tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane?

The canonical SMILES for tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane is Cc1cc(C(CCC(c2cc(C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C)c2)c2cc(C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C)c2)c2cc(C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C)c2)cc(C)c1O[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.

What is the InChIKey of tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane?

The InChIKey is SEEADNAGESWDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H122O4Si4/c1-91-71-111(72-92(2)117(91)121-125(79-99-45-21-9-22-46-99,80-100-47-23-10-24-48-100)81-101-49-25-11-26-50-101)115(112-73-93(3)118(94(4)74-112)122-126(82-102-51-27-12-28-52-102,83-103-53-29-13-30-54-103)84-104-55-31-14-32-56-104)69-70-116(113-75-95(5)119(96(6)76-113)123-127(85-105-57-33-15-34-58-105,86-106-59-35-16-36-60-106)87-107-61-37-17-38-62-107)114-77-97(7)120(98(8)78-114)124-128(88-108-63-39-18-40-64-108,89-109-65-41-19-42-66-109)90-110-67-43-20-44-68-110/h9-68,71-78,115-116H,69-70,79-90H2,1-8H3.

What are the key properties of tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane?

tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane has a molecular weight of 1740.64 g/mol, XLogP of 28.58, 39 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane is sourced from PubChem (CID 139887643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).