2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane

C36H29ClO3Si3 — CID 154117208

IUPAC2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
SMILESClc1ccccc1[Si]1(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C36H29ClO3Si3/c37-35-28-16-17-29-36(35)43(34-26-14-5-15-27-34)39-41(30-18-6-1-7-19-30,31-20-8-2-9-21-31)38-42(40-43,32-22-10-3-11-23-32)33-24-12-4-13-25-33/h1-29H
InChIKeyJTHNTYOVAAUMKA-UHFFFAOYSA-N
MW629.34 g/mol
LogP4.47
Rot. Bonds6

About 2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane

2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 154117208) has the molecular formula C36H29ClO3Si3 and a molecular weight of 629.34 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
PubChem CID154117208
Molecular FormulaC36H29ClO3Si3
Molecular Weight629.34 g/mol
Exact Mass628.11
IUPAC Name2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
SMILESClc1ccccc1[Si]1(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C36H29ClO3Si3/c37-35-28-16-17-29-36(35)43(34-26-14-5-15-27-34)39-41(30-18-6-1-7-19-30,31-20-8-2-9-21-31)38-42(40-43,32-22-10-3-11-23-32)33-24-12-4-13-25-33/h1-29H
InChIKeyJTHNTYOVAAUMKA-UHFFFAOYSA-N
XLogP4.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane with MolForge

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Related Compounds

2,2,4,4,6,6,8,8-octakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 139055820
2-[(2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)sulfanyl]-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
CID 169210112
8,8,17,17-tetramethyl-2,2,4,4,12,12,14,14-octakis-phenyl-1,3,5,7,9,11,13,15,16,18-decaoxa-2,4,6,8,10,12,14,17-octasiladispiro[5.3.510.36]octadecane
CID 23266209
2,2,4,4,6,6,8,8-octakis(3-chlorophenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 101075919
2,2,4,4,6,6,8,8,10,10-decakis-phenyl-1,3,5,7,2,4,6,8,10-tetraoxatrisiladistannecane
CID 151768856
2-(1,2,3,4,5,5,6,6-octachlorocyclohex-2-en-1-yl)-2,4,4,6,6,8,8-heptakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 88811876
azane;1,2-dichlorobenzene
CID 70584322
chlorobenzene;1,2-dichlorobenzene
CID 22250607
2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 6487
(4S,7S)-4,7-dibenzyl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine
CID 10742121
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
carbonic acid;2-chlorophenol
CID 163958261

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane (CID 154117208) is 2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane is Clc1ccccc1[Si]1(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is JTHNTYOVAAUMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29ClO3Si3/c37-35-28-16-17-29-36(35)43(34-26-14-5-15-27-34)39-41(30-18-6-1-7-19-30,31-20-8-2-9-21-31)38-42(40-43,32-22-10-3-11-23-32)33-24-12-4-13-25-33/h1-29H.
What are the key properties of 2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane?
2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 629.34 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2,4,4,6,6-pentakis-phenyl-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 154117208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).