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

C118H118O12Si4 — CID 139887801

IUPACtribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane
SMILESCOc1cc(C(c2cc(OC)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(OC)c2)C(c2cc(OC)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(OC)c2)c2cc(OC)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(OC)c2)cc(OC)c1O[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C118H118O12Si4/c1-119-105-69-101(70-106(120-2)115(105)127-131(77-89-45-21-9-22-46-89,78-90-47-23-10-24-48-90)79-91-49-25-11-26-50-91)113(102-71-107(121-3)116(108(72-102)122-4)128-132(80-92-51-27-12-28-52-92,81-93-53-29-13-30-54-93)82-94-55-31-14-32-56-94)114(103-73-109(123-5)117(110(74-103)124-6)129-133(83-95-57-33-15-34-58-95,84-96-59-35-16-36-60-96)85-97-61-37-17-38-62-97)104-75-111(125-7)118(112(76-104)126-8)130-134(86-98-63-39-18-40-64-98,87-99-65-41-19-42-66-99)88-100-67-43-20-44-68-100/h9-76,113-114H,77-88H2,1-8H3
InChIKeyRFOZBBINSSDUES-UHFFFAOYSA-N
MW1840.57 g/mol
LogP25.40
Rot. Bonds45

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

tribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane (PubChem CID 139887801) has the molecular formula C118H118O12Si4 and a molecular weight of 1840.57 g/mol. Its IUPAC name is tribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane.

Molecular Properties

Compound Nametribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane
PubChem CID139887801
Molecular FormulaC118H118O12Si4
Molecular Weight1840.57 g/mol
Exact Mass1838.77
IUPAC Nametribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane
SMILESCOc1cc(C(c2cc(OC)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(OC)c2)C(c2cc(OC)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(OC)c2)c2cc(OC)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(OC)c2)cc(OC)c1O[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C118H118O12Si4/c1-119-105-69-101(70-106(120-2)115(105)127-131(77-89-45-21-9-22-46-89,78-90-47-23-10-24-48-90)79-91-49-25-11-26-50-91)113(102-71-107(121-3)116(108(72-102)122-4)128-132(80-92-51-27-12-28-52-92,81-93-53-29-13-30-54-93)82-94-55-31-14-32-56-94)114(103-73-109(123-5)117(110(74-103)124-6)129-133(83-95-57-33-15-34-58-95,84-96-59-35-16-36-60-96)85-97-61-37-17-38-62-97)104-75-111(125-7)118(112(76-104)126-8)130-134(86-98-63-39-18-40-64-98,87-99-65-41-19-42-66-99)88-100-67-43-20-44-68-100/h9-76,113-114H,77-88H2,1-8H3
InChIKeyRFOZBBINSSDUES-UHFFFAOYSA-N
XLogP25.40
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds45
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001840.57
LogP ≤ 525.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane
CID 139887592
tribenzyl-[2,6-diphenyl-4-[1,2,2-tris(3,5-diphenyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane
CID 139887601
tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane
CID 139887815
tribenzyl-[2,6-dimethyl-4-[1,4,4-tris(3,5-dimethyl-4-tribenzylsilyloxyphenyl)butyl]phenoxy]silane
CID 139887643
benzyl-diethyl-methoxysilane
CID 13486120
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
(1R)-N-benzyl-1-(3,4,5-trimethoxyphenyl)but-3-en-1-amine
CID 101268335
1-(3-chloro-4,5-dimethoxyphenyl)-2-phenylethanamine
CID 60955928
5-[bromo(phenyl)methyl]-1,2,3-trimethoxybenzene
CID 61083701
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal
CID 102493094
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981

Frequently Asked Questions

What is the IUPAC name of tribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane?
The IUPAC name of tribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane (CID 139887801) is tribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane.
What is the SMILES notation for tribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane?
The canonical SMILES for tribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane is COc1cc(C(c2cc(OC)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(OC)c2)C(c2cc(OC)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(OC)c2)c2cc(OC)c(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(OC)c2)cc(OC)c1O[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane?
The InChIKey is RFOZBBINSSDUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H118O12Si4/c1-119-105-69-101(70-106(120-2)115(105)127-131(77-89-45-21-9-22-46-89,78-90-47-23-10-24-48-90)79-91-49-25-11-26-50-91)113(102-71-107(121-3)116(108(72-102)122-4)128-132(80-92-51-27-12-28-52-92,81-93-53-29-13-30-54-93)82-94-55-31-14-32-56-94)114(103-73-109(123-5)117(110(74-103)124-6)129-133(83-95-57-33-15-34-58-95,84-96-59-35-16-36-60-96)85-97-61-37-17-38-62-97)104-75-111(125-7)118(112(76-104)126-8)130-134(86-98-63-39-18-40-64-98,87-99-65-41-19-42-66-99)88-100-67-43-20-44-68-100/h9-76,113-114H,77-88H2,1-8H3.
What are the key properties of tribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane?
tribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane has a molecular weight of 1840.57 g/mol, XLogP of 25.40, 45 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane is sourced from PubChem (CID 139887801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).