tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane

C120H114O8Si4 — CID 139887815

IUPACtribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane
SMILESCOc1cc(C(c2ccc(C(c3ccc(O[Si](Cc4ccccc4)(Cc4ccccc4)Cc4ccccc4)c(OC)c3)c3ccc(O[Si](Cc4ccccc4)(Cc4ccccc4)Cc4ccccc4)c(OC)c3)cc2)c2ccc(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(OC)c2)ccc1O[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C120H114O8Si4/c1-121-115-77-107(69-73-111(115)125-129(81-93-41-17-5-18-42-93,82-94-43-19-6-20-44-94)83-95-45-21-7-22-46-95)119(108-70-74-112(116(78-108)122-2)126-130(84-96-47-23-8-24-48-96,85-97-49-25-9-26-50-97)86-98-51-27-10-28-52-98)105-65-67-106(68-66-105)120(109-71-75-113(117(79-109)123-3)127-131(87-99-53-29-11-30-54-99,88-100-55-31-12-32-56-100)89-101-57-33-13-34-58-101)110-72-76-114(118(80-110)124-4)128-132(90-102-59-35-14-36-60-102,91-103-61-37-15-38-62-103)92-104-63-39-16-40-64-104/h5-80,119-120H,81-92H2,1-4H3
InChIKeySLZDIUFZUJOJGC-UHFFFAOYSA-N
MW1796.57 g/mol
LogP26.76
Rot. Bonds42

About tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane

tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane (PubChem CID 139887815) has the molecular formula C120H114O8Si4 and a molecular weight of 1796.57 g/mol. Its IUPAC name is tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane.

Molecular Properties

Compound Nametribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane
PubChem CID139887815
Molecular FormulaC120H114O8Si4
Molecular Weight1796.57 g/mol
Exact Mass1794.76
IUPAC Nametribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane
SMILESCOc1cc(C(c2ccc(C(c3ccc(O[Si](Cc4ccccc4)(Cc4ccccc4)Cc4ccccc4)c(OC)c3)c3ccc(O[Si](Cc4ccccc4)(Cc4ccccc4)Cc4ccccc4)c(OC)c3)cc2)c2ccc(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(OC)c2)ccc1O[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C120H114O8Si4/c1-121-115-77-107(69-73-111(115)125-129(81-93-41-17-5-18-42-93,82-94-43-19-6-20-44-94)83-95-45-21-7-22-46-95)119(108-70-74-112(116(78-108)122-2)126-130(84-96-47-23-8-24-48-96,85-97-49-25-9-26-50-97)86-98-51-27-10-28-52-98)105-65-67-106(68-66-105)120(109-71-75-113(117(79-109)123-3)127-131(87-99-53-29-11-30-54-99,88-100-55-31-12-32-56-100)89-101-57-33-13-34-58-101)110-72-76-114(118(80-110)124-4)128-132(90-102-59-35-14-36-60-102,91-103-61-37-15-38-62-103)92-104-63-39-16-40-64-104/h5-80,119-120H,81-92H2,1-4H3
InChIKeySLZDIUFZUJOJGC-UHFFFAOYSA-N
XLogP26.76
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds42
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001796.57
LogP ≤ 526.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane with MolForge

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Related Compounds

tribenzyl-[2,6-dimethoxy-4-[1,2,2-tris(3,5-dimethoxy-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane
CID 139887801
2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene
CID 56601628
4-benzhydryl-2-bromo-1-methoxybenzene
CID 12672614
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
3-(3,4-dimethoxyphenyl)-3-phenylmethoxypropanal
CID 102493094
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
5-benzhydryl-2-methoxybenzaldehyde
CID 134942077
(3R)-3-(benzhydrylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 69230254
3-(benzhydrylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 69225556

Frequently Asked Questions

What is the IUPAC name of tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane?
The IUPAC name of tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane (CID 139887815) is tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane.
What is the SMILES notation for tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane?
The canonical SMILES for tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane is COc1cc(C(c2ccc(C(c3ccc(O[Si](Cc4ccccc4)(Cc4ccccc4)Cc4ccccc4)c(OC)c3)c3ccc(O[Si](Cc4ccccc4)(Cc4ccccc4)Cc4ccccc4)c(OC)c3)cc2)c2ccc(O[Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)c(OC)c2)ccc1O[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane?
The InChIKey is SLZDIUFZUJOJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H114O8Si4/c1-121-115-77-107(69-73-111(115)125-129(81-93-41-17-5-18-42-93,82-94-43-19-6-20-44-94)83-95-45-21-7-22-46-95)119(108-70-74-112(116(78-108)122-2)126-130(84-96-47-23-8-24-48-96,85-97-49-25-9-26-50-97)86-98-51-27-10-28-52-98)105-65-67-106(68-66-105)120(109-71-75-113(117(79-109)123-3)127-131(87-99-53-29-11-30-54-99,88-100-55-31-12-32-56-100)89-101-57-33-13-34-58-101)110-72-76-114(118(80-110)124-4)128-132(90-102-59-35-14-36-60-102,91-103-61-37-15-38-62-103)92-104-63-39-16-40-64-104/h5-80,119-120H,81-92H2,1-4H3.
What are the key properties of tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane?
tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane has a molecular weight of 1796.57 g/mol, XLogP of 26.76, 42 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane is sourced from PubChem (CID 139887815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).