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

C122H90Cl4O4Si4 — CID 139887739

IUPAC[2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane
SMILESClc1cc(C(c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)C(c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc(-c2ccccc2)c1O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C122H90Cl4O4Si4/c123-113-85-93(81-109(89-49-17-1-18-50-89)119(113)127-131(97-57-25-5-26-58-97,98-59-27-6-28-60-98)99-61-29-7-30-62-99)117(94-82-110(90-51-19-2-20-52-90)120(114(124)86-94)128-132(100-63-31-8-32-64-100,101-65-33-9-34-66-101)102-67-35-10-36-68-102)118(95-83-111(91-53-21-3-22-54-91)121(115(125)87-95)129-133(103-69-37-11-38-70-103,104-71-39-12-40-72-104)105-73-41-13-42-74-105)96-84-112(92-55-23-4-24-56-92)122(116(126)88-96)130-134(106-75-43-14-44-76-106,107-77-45-15-46-78-107)108-79-47-16-48-80-108/h1-88,117-118H
InChIKeyGMSXUCHBVNNEAK-UHFFFAOYSA-N
MW1874.21 g/mol
LogP24.12
Rot. Bonds29

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

[2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane (PubChem CID 139887739) has the molecular formula C122H90Cl4O4Si4 and a molecular weight of 1874.21 g/mol. Its IUPAC name is [2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane.

Molecular Properties

Compound Name[2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane
PubChem CID139887739
Molecular FormulaC122H90Cl4O4Si4
Molecular Weight1874.21 g/mol
Exact Mass1870.47
IUPAC Name[2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane
SMILESClc1cc(C(c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)C(c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc(-c2ccccc2)c1O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C122H90Cl4O4Si4/c123-113-85-93(81-109(89-49-17-1-18-50-89)119(113)127-131(97-57-25-5-26-58-97,98-59-27-6-28-60-98)99-61-29-7-30-62-99)117(94-82-110(90-51-19-2-20-52-90)120(114(124)86-94)128-132(100-63-31-8-32-64-100,101-65-33-9-34-66-101)102-67-35-10-36-68-102)118(95-83-111(91-53-21-3-22-54-91)121(115(125)87-95)129-133(103-69-37-11-38-70-103,104-71-39-12-40-72-104)105-73-41-13-42-74-105)96-84-112(92-55-23-4-24-56-92)122(116(126)88-96)130-134(106-75-43-14-44-76-106,107-77-45-15-46-78-107)108-79-47-16-48-80-108/h1-88,117-118H
InChIKeyGMSXUCHBVNNEAK-UHFFFAOYSA-N
XLogP24.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001874.21
LogP ≤ 524.12
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'}

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Related Compounds

[2,6-dichloro-4-[1,2,2-tris(3,5-dichloro-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane
CID 139887677
tribenzyl-[2,6-diphenyl-4-[1,2,2-tris(3,5-diphenyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane
CID 139887601
1-chloro-2-phenyl-4-propan-2-ylbenzene
CID 59853112
1,2,4-trichloro-5-phenylbenzene
CID 27514
sulfane;bis(1,2,4-trichloro-5-phenylbenzene)
CID 173160003
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
1,2,4-trichloro-5-(4-phenylphenyl)benzene
CID 90106451
7-chloro-2,4-diphenyl-1,6-naphthyridine
CID 87409632
2-amino-1-(3,4-difluoro-5-phenylphenyl)ethanol
CID 117375534
methyl 2-(3,4-diphenylphenyl)propanoate
CID 139706154
2-chloro-6,12-diphenylchrysene
CID 58501171

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane?
The IUPAC name of [2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane (CID 139887739) is [2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane.
What is the SMILES notation for [2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane?
The canonical SMILES for [2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane is Clc1cc(C(c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)C(c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)c2cc(Cl)c(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc(-c2ccccc2)c1O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane?
The InChIKey is GMSXUCHBVNNEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H90Cl4O4Si4/c123-113-85-93(81-109(89-49-17-1-18-50-89)119(113)127-131(97-57-25-5-26-58-97,98-59-27-6-28-60-98)99-61-29-7-30-62-99)117(94-82-110(90-51-19-2-20-52-90)120(114(124)86-94)128-132(100-63-31-8-32-64-100,101-65-33-9-34-66-101)102-67-35-10-36-68-102)118(95-83-111(91-53-21-3-22-54-91)121(115(125)87-95)129-133(103-69-37-11-38-70-103,104-71-39-12-40-72-104)105-73-41-13-42-74-105)96-84-112(92-55-23-4-24-56-92)122(116(126)88-96)130-134(106-75-43-14-44-76-106,107-77-45-15-46-78-107)108-79-47-16-48-80-108/h1-88,117-118H.
What are the key properties of [2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane?
[2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane has a molecular weight of 1874.21 g/mol, XLogP of 24.12, 29 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-phenyl-4-[1,2,2-tris(3-chloro-5-phenyl-4-triphenylsilyloxyphenyl)ethyl]phenoxy]-triphenylsilane is sourced from PubChem (CID 139887739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).