[2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane

C98H70Cl8O4Si4 — CID 139887677

IUPAC[2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane
SMILESClc1cc(C(c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(Cl)c2)C(c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(Cl)c2)c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(Cl)c2)cc(Cl)c1O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C98H70Cl8O4Si4/c99-85-61-69(62-86(100)95(85)107-111(73-37-13-1-14-38-73,74-39-15-2-16-40-74)75-41-17-3-18-42-75)93(70-63-87(101)96(88(102)64-70)108-112(76-43-19-4-20-44-76,77-45-21-5-22-46-77)78-47-23-6-24-48-78)94(71-65-89(103)97(90(104)66-71)109-113(79-49-25-7-26-50-79,80-51-27-8-28-52-80)81-53-29-9-30-54-81)72-67-91(105)98(92(106)68-72)110-114(82-55-31-10-32-56-82,83-57-33-11-34-58-83)84-59-35-12-36-60-84/h1-68,93-94H
InChIKeyOZIYUUKXMDXUGU-UHFFFAOYSA-N
MW1707.60 g/mol
LogP20.06
Rot. Bonds25

About [2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane

[2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane (PubChem CID 139887677) has the molecular formula C98H70Cl8O4Si4 and a molecular weight of 1707.60 g/mol. Its IUPAC name is [2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane.

Molecular Properties

Compound Name[2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane
PubChem CID139887677
Molecular FormulaC98H70Cl8O4Si4
Molecular Weight1707.60 g/mol
Exact Mass1702.19
IUPAC Name[2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane
SMILESClc1cc(C(c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(Cl)c2)C(c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(Cl)c2)c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(Cl)c2)cc(Cl)c1O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C98H70Cl8O4Si4/c99-85-61-69(62-86(100)95(85)107-111(73-37-13-1-14-38-73,74-39-15-2-16-40-74)75-41-17-3-18-42-75)93(70-63-87(101)96(88(102)64-70)108-112(76-43-19-4-20-44-76,77-45-21-5-22-46-77)78-47-23-6-24-48-78)94(71-65-89(103)97(90(104)66-71)109-113(79-49-25-7-26-50-79,80-51-27-8-28-52-80)81-53-29-9-30-54-81)72-67-91(105)98(92(106)68-72)110-114(82-55-31-10-32-56-82,83-57-33-11-34-58-83)84-59-35-12-36-60-84/h1-68,93-94H
InChIKeyOZIYUUKXMDXUGU-UHFFFAOYSA-N
XLogP20.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001707.60
LogP ≤ 520.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane with MolForge

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Related Compounds

[2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane
CID 139887739
triphenyl-(4-triphenylsilyloxyphenoxy)silane
CID 86209033
triphenyl-(2-triphenylsilyloxyphenoxy)silane
CID 154164167
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane
CID 20565338
triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane
CID 139887823
triphenyl(silyloxy)silane
CID 123924949
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
CID 63416220
3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine
CID 118359626
triphenylsilyloxyaluminum(2+) dichloride
CID 173433919
hexaphenyltrisiloxane
CID 87857369
bis(2-chlorophenoxy)-methyl-phenylsilane
CID 14762370

Frequently Asked Questions

What is the IUPAC name of [2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane?
The IUPAC name of [2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane (CID 139887677) is [2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane.
What is the SMILES notation for [2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane?
The canonical SMILES for [2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane is Clc1cc(C(c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(Cl)c2)C(c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(Cl)c2)c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(Cl)c2)cc(Cl)c1O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane?
The InChIKey is OZIYUUKXMDXUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H70Cl8O4Si4/c99-85-61-69(62-86(100)95(85)107-111(73-37-13-1-14-38-73,74-39-15-2-16-40-74)75-41-17-3-18-42-75)93(70-63-87(101)96(88(102)64-70)108-112(76-43-19-4-20-44-76,77-45-21-5-22-46-77)78-47-23-6-24-48-78)94(71-65-89(103)97(90(104)66-71)109-113(79-49-25-7-26-50-79,80-51-27-8-28-52-80)81-53-29-9-30-54-81)72-67-91(105)98(92(106)68-72)110-114(82-55-31-10-32-56-82,83-57-33-11-34-58-83)84-59-35-12-36-60-84/h1-68,93-94H.
What are the key properties of [2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane?
[2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane has a molecular weight of 1707.60 g/mol, XLogP of 20.06, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane is sourced from PubChem (CID 139887677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).