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

C142H166O4Si4 — CID 139887592

IUPACtribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane
SMILESCC(C)(C)c1cc(C(c2cc(C(C)(C)C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C(C)(C)C)c2)C(c2cc(C(C)(C)C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C142H166O4Si4/c1-135(2,3)121-85-117(86-122(136(4,5)6)131(121)143-147(93-105-61-37-25-38-62-105,94-106-63-39-26-40-64-106)95-107-65-41-27-42-66-107)129(118-87-123(137(7,8)9)132(124(88-118)138(10,11)12)144-148(96-108-67-43-28-44-68-108,97-109-69-45-29-46-70-109)98-110-71-47-30-48-72-110)130(119-89-125(139(13,14)15)133(126(90-119)140(16,17)18)145-149(99-111-73-49-31-50-74-111,100-112-75-51-32-52-76-112)101-113-77-53-33-54-78-113)120-91-127(141(19,20)21)134(128(92-120)142(22,23)24)146-150(102-114-79-55-34-56-80-114,103-115-81-57-35-58-82-115)104-116-83-59-36-60-84-116/h25-92,129-130H,93-104H2,1-24H3
InChIKeyGYPDSGFFXPNXKA-UHFFFAOYSA-N
MW2049.23 g/mol
LogP35.71
Rot. Bonds37

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

tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane (PubChem CID 139887592) has the molecular formula C142H166O4Si4 and a molecular weight of 2049.23 g/mol. Its IUPAC name is tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane.

Molecular Properties

Compound Nametribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane
PubChem CID139887592
Molecular FormulaC142H166O4Si4
Molecular Weight2049.23 g/mol
Exact Mass2047.19
IUPAC Nametribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane
SMILESCC(C)(C)c1cc(C(c2cc(C(C)(C)C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C(C)(C)C)c2)C(c2cc(C(C)(C)C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C142H166O4Si4/c1-135(2,3)121-85-117(86-122(136(4,5)6)131(121)143-147(93-105-61-37-25-38-62-105,94-106-63-39-26-40-64-106)95-107-65-41-27-42-66-107)129(118-87-123(137(7,8)9)132(124(88-118)138(10,11)12)144-148(96-108-67-43-28-44-68-108,97-109-69-45-29-46-70-109)98-110-71-47-30-48-72-110)130(119-89-125(139(13,14)15)133(126(90-119)140(16,17)18)145-149(99-111-73-49-31-50-74-111,100-112-75-51-32-52-76-112)101-113-77-53-33-54-78-113)120-91-127(141(19,20)21)134(128(92-120)142(22,23)24)146-150(102-114-79-55-34-56-80-114,103-115-81-57-35-58-82-115)104-116-83-59-36-60-84-116/h25-92,129-130H,93-104H2,1-24H3
InChIKeyGYPDSGFFXPNXKA-UHFFFAOYSA-N
XLogP35.71
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds37
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002049.23
LogP ≤ 535.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tetrakis(2,4-di-tert-butylphenyl) (1,1-biphenyl)-4,4'-diylbisphosphonite
CID 93207
p-tert-Butylcalix-6-arene
CID 335356
4-tert-Butylcalix[8]arene
CID 434172
2,4,6-Tris(1-methyl-1-phenylethyl)phenol
CID 634812
2,2'-Methylenebis[4,6-bis(1-methyl-1-phenylethyl)phenol]
CID 117014
4-tert-Butylcalix[5]arene
CID 2725100
5,11,17,23,29,35,41,47-Octakis(2,4,4-trimethylpentan-2-yl)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
CID 366253
((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(tert-butyldimethylsilane)
CID 15429798
Phosphonous acid, (1,1'-biphenyl)-4-yl-, bis(2,4-bis(1,1-dimethylethyl)phenyl) ester
CID 14572932
Tetrakis(2,4-di-tert-butylphenyl) 3,4'-biphenylenediphosphonite
CID 20651923
Tetrakis(2,4-di-tert-butylphenyl) 3,3'-biphenylenediphosphonite
CID 122706807
p-t-Octylcalix[5]arene
CID 366249

Frequently Asked Questions

What is the IUPAC name of tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane?
The IUPAC name of tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane (CID 139887592) is tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane.
What is the SMILES notation for tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane?
The canonical SMILES for tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane is CC(C)(C)c1cc(C(c2cc(C(C)(C)C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C(C)(C)C)c2)C(c2cc(C(C)(C)C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane?
The InChIKey is GYPDSGFFXPNXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H166O4Si4/c1-135(2,3)121-85-117(86-122(136(4,5)6)131(121)143-147(93-105-61-37-25-38-62-105,94-106-63-39-26-40-64-106)95-107-65-41-27-42-66-107)129(118-87-123(137(7,8)9)132(124(88-118)138(10,11)12)144-148(96-108-67-43-28-44-68-108,97-109-69-45-29-46-70-109)98-110-71-47-30-48-72-110)130(119-89-125(139(13,14)15)133(126(90-119)140(16,17)18)145-149(99-111-73-49-31-50-74-111,100-112-75-51-32-52-76-112)101-113-77-53-33-54-78-113)120-91-127(141(19,20)21)134(128(92-120)142(22,23)24)146-150(102-114-79-55-34-56-80-114,103-115-81-57-35-58-82-115)104-116-83-59-36-60-84-116/h25-92,129-130H,93-104H2,1-24H3.
What are the key properties of tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane?
tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane has a molecular weight of 2049.23 g/mol, XLogP of 35.71, 37 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane is sourced from PubChem (CID 139887592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).