chloro-tris(2,4-dibenzyl-5-methylphenyl)silane

C63H57ClSi — CID 88962437

IUPACchloro-tris(2,4-dibenzyl-5-methylphenyl)silane
SMILESCc1cc([Si](Cl)(c2cc(C)c(Cc3ccccc3)cc2Cc2ccccc2)c2cc(C)c(Cc3ccccc3)cc2Cc2ccccc2)c(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C63H57ClSi/c1-46-34-61(58(40-52-28-16-7-17-29-52)43-55(46)37-49-22-10-4-11-23-49)65(64,62-35-47(2)56(38-50-24-12-5-13-25-50)44-59(62)41-53-30-18-8-19-31-53)63-36-48(3)57(39-51-26-14-6-15-27-51)45-60(63)42-54-32-20-9-21-33-54/h4-36,43-45H,37-42H2,1-3H3
InChIKeyQYBSFXKEIBLYEX-UHFFFAOYSA-N
MW877.69 g/mol
LogP13.36
Rot. Bonds15

About chloro-tris(2,4-dibenzyl-5-methylphenyl)silane

chloro-tris(2,4-dibenzyl-5-methylphenyl)silane (PubChem CID 88962437) has the molecular formula C63H57ClSi and a molecular weight of 877.69 g/mol. Its IUPAC name is chloro-tris(2,4-dibenzyl-5-methylphenyl)silane.

Molecular Properties

Compound Namechloro-tris(2,4-dibenzyl-5-methylphenyl)silane
PubChem CID88962437
Molecular FormulaC63H57ClSi
Molecular Weight877.69 g/mol
Exact Mass876.39
IUPAC Namechloro-tris(2,4-dibenzyl-5-methylphenyl)silane
SMILESCc1cc([Si](Cl)(c2cc(C)c(Cc3ccccc3)cc2Cc2ccccc2)c2cc(C)c(Cc3ccccc3)cc2Cc2ccccc2)c(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C63H57ClSi/c1-46-34-61(58(40-52-28-16-7-17-29-52)43-55(46)37-49-22-10-4-11-23-49)65(64,62-35-47(2)56(38-50-24-12-5-13-25-50)44-59(62)41-53-30-18-8-19-31-53)63-36-48(3)57(39-51-26-14-6-15-27-51)45-60(63)42-54-32-20-9-21-33-54/h4-36,43-45H,37-42H2,1-3H3
InChIKeyQYBSFXKEIBLYEX-UHFFFAOYSA-N
XLogP13.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.69
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(2-benzyl-5-methylphenyl)-chlorosilane
CID 88962364
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
tris(3-benzyl-4-methylphenyl)-chlorosilane
CID 88962510
4-benzyl-5-methylbenzene-1,2-diol
CID 146645349
tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane
CID 88962705
chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane
CID 88962459
tris(2-benzyl-3,4-dimethylphenyl)-chlorosilane
CID 88962541
chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane
CID 88962487
4-benzyl-3-methylaniline
CID 12846586
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
3-benzyl-4-methylbenzoic acid
CID 22349488
4-benzyl-5-methyl-2-phenylpyridine
CID 162707148

Frequently Asked Questions

What is the IUPAC name of chloro-tris(2,4-dibenzyl-5-methylphenyl)silane?
The IUPAC name of chloro-tris(2,4-dibenzyl-5-methylphenyl)silane (CID 88962437) is chloro-tris(2,4-dibenzyl-5-methylphenyl)silane.
What is the SMILES notation for chloro-tris(2,4-dibenzyl-5-methylphenyl)silane?
The canonical SMILES for chloro-tris(2,4-dibenzyl-5-methylphenyl)silane is Cc1cc([Si](Cl)(c2cc(C)c(Cc3ccccc3)cc2Cc2ccccc2)c2cc(C)c(Cc3ccccc3)cc2Cc2ccccc2)c(Cc2ccccc2)cc1Cc1ccccc1.
What is the InChIKey of chloro-tris(2,4-dibenzyl-5-methylphenyl)silane?
The InChIKey is QYBSFXKEIBLYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H57ClSi/c1-46-34-61(58(40-52-28-16-7-17-29-52)43-55(46)37-49-22-10-4-11-23-49)65(64,62-35-47(2)56(38-50-24-12-5-13-25-50)44-59(62)41-53-30-18-8-19-31-53)63-36-48(3)57(39-51-26-14-6-15-27-51)45-60(63)42-54-32-20-9-21-33-54/h4-36,43-45H,37-42H2,1-3H3.
What are the key properties of chloro-tris(2,4-dibenzyl-5-methylphenyl)silane?
chloro-tris(2,4-dibenzyl-5-methylphenyl)silane has a molecular weight of 877.69 g/mol, XLogP of 13.36, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(2,4-dibenzyl-5-methylphenyl)silane is sourced from PubChem (CID 88962437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).