chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane

C66H63ClSi — CID 88962459

IUPACchloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane
SMILESCc1cc(Cc2ccccc2)c([Si](Cl)(c2c(Cc3ccccc3)cc(C)c(C)c2Cc2ccccc2)c2c(Cc3ccccc3)cc(C)c(C)c2Cc2ccccc2)c(Cc2ccccc2)c1C
InChIInChI=1S/C66H63ClSi/c1-46-37-58(40-52-25-13-7-14-26-52)64(61(49(46)4)43-55-31-19-10-20-32-55)68(67,65-59(41-53-27-15-8-16-28-53)38-47(2)50(5)62(65)44-56-33-21-11-22-34-56)66-60(42-54-29-17-9-18-30-54)39-48(3)51(6)63(66)45-57-35-23-12-24-36-57/h7-39H,40-45H2,1-6H3
InChIKeyPLBMLTODIADEPZ-UHFFFAOYSA-N
MW919.77 g/mol
LogP14.29
Rot. Bonds15

About chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane

chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane (PubChem CID 88962459) has the molecular formula C66H63ClSi and a molecular weight of 919.77 g/mol. Its IUPAC name is chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane.

Molecular Properties

Compound Namechloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane
PubChem CID88962459
Molecular FormulaC66H63ClSi
Molecular Weight919.77 g/mol
Exact Mass918.44
IUPAC Namechloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane
SMILESCc1cc(Cc2ccccc2)c([Si](Cl)(c2c(Cc3ccccc3)cc(C)c(C)c2Cc2ccccc2)c2c(Cc3ccccc3)cc(C)c(C)c2Cc2ccccc2)c(Cc2ccccc2)c1C
InChIInChI=1S/C66H63ClSi/c1-46-37-58(40-52-25-13-7-14-26-52)64(61(49(46)4)43-55-31-19-10-20-32-55)68(67,65-59(41-53-27-15-8-16-28-53)38-47(2)50(5)62(65)44-56-33-21-11-22-34-56)66-60(42-54-29-17-9-18-30-54)39-48(3)51(6)63(66)45-57-35-23-12-24-36-57/h7-39H,40-45H2,1-6H3
InChIKeyPLBMLTODIADEPZ-UHFFFAOYSA-N
XLogP14.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.77
LogP ≤ 514.29
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(3-benzyl-2,6-dimethylphenyl)-chlorosilane
CID 88962705
tris(2-benzyl-3,4-dimethylphenyl)-chlorosilane
CID 88962541
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
chloro-tris(2,4-dibenzyl-5-methylphenyl)silane
CID 88962437
tris(3,6-dibenzyl-2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123658622
tris(2,4-dibenzyl-3,6-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123944477
tris(3-benzyl-4-methylphenyl)-chlorosilane
CID 88962510
tris(2,5-dibenzyl-3,6-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123786242
tris(2-benzyl-5-methylphenyl)-chlorosilane
CID 88962364
3,4-dibenzyl-2,6-dimethylpyridine
CID 139645873
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene
CID 590366

Frequently Asked Questions

What is the IUPAC name of chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane?
The IUPAC name of chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane (CID 88962459) is chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane.
What is the SMILES notation for chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane?
The canonical SMILES for chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane is Cc1cc(Cc2ccccc2)c([Si](Cl)(c2c(Cc3ccccc3)cc(C)c(C)c2Cc2ccccc2)c2c(Cc3ccccc3)cc(C)c(C)c2Cc2ccccc2)c(Cc2ccccc2)c1C.
What is the InChIKey of chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane?
The InChIKey is PLBMLTODIADEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H63ClSi/c1-46-37-58(40-52-25-13-7-14-26-52)64(61(49(46)4)43-55-31-19-10-20-32-55)68(67,65-59(41-53-27-15-8-16-28-53)38-47(2)50(5)62(65)44-56-33-21-11-22-34-56)66-60(42-54-29-17-9-18-30-54)39-48(3)51(6)63(66)45-57-35-23-12-24-36-57/h7-39H,40-45H2,1-6H3.
What are the key properties of chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane?
chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane has a molecular weight of 919.77 g/mol, XLogP of 14.29, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane is sourced from PubChem (CID 88962459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).