tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane

C45H45ClSi — CID 88962705

IUPACtris(3-benzyl-2,6-dimethylphenyl)-chlorosilane
SMILESCc1ccc(Cc2ccccc2)c(C)c1[Si](Cl)(c1c(C)ccc(Cc2ccccc2)c1C)c1c(C)ccc(Cc2ccccc2)c1C
InChIInChI=1S/C45H45ClSi/c1-31-22-25-40(28-37-16-10-7-11-17-37)34(4)43(31)47(46,44-32(2)23-26-41(35(44)5)29-38-18-12-8-13-19-38)45-33(3)24-27-42(36(45)6)30-39-20-14-9-15-21-39/h7-27H,28-30H2,1-6H3
InChIKeyNLFIEFJJCGJTGF-UHFFFAOYSA-N
MW649.39 g/mol
LogP9.52
Rot. Bonds9

About tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane

tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane (PubChem CID 88962705) has the molecular formula C45H45ClSi and a molecular weight of 649.39 g/mol. Its IUPAC name is tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane.

Molecular Properties

Compound Nametris(3-benzyl-2,6-dimethylphenyl)-chlorosilane
PubChem CID88962705
Molecular FormulaC45H45ClSi
Molecular Weight649.39 g/mol
Exact Mass648.30
IUPAC Nametris(3-benzyl-2,6-dimethylphenyl)-chlorosilane
SMILESCc1ccc(Cc2ccccc2)c(C)c1[Si](Cl)(c1c(C)ccc(Cc2ccccc2)c1C)c1c(C)ccc(Cc2ccccc2)c1C
InChIInChI=1S/C45H45ClSi/c1-31-22-25-40(28-37-16-10-7-11-17-37)34(4)43(31)47(46,44-32(2)23-26-41(35(44)5)29-38-18-12-8-13-19-38)45-33(3)24-27-42(36(45)6)30-39-20-14-9-15-21-39/h7-27H,28-30H2,1-6H3
InChIKeyNLFIEFJJCGJTGF-UHFFFAOYSA-N
XLogP9.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.39
LogP ≤ 59.52
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

chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane
CID 88962459
1-benzyl-2-chloro-3,4-dimethylbenzene
CID 141001175
tris(3-benzyl-4-methylphenyl)-chlorosilane
CID 88962510
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
chloro-tris(2,4-dibenzyl-5-methylphenyl)silane
CID 88962437
tris(2-benzyl-5-methylphenyl)-chlorosilane
CID 88962364
tris(2-benzyl-3,4-dimethylphenyl)-chlorosilane
CID 88962541
azane;1-benzyl-2,3-dimethylbenzene;hydrochloride
CID 174867327
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
(4-benzyl-2,3-dimethylphenyl)azanium chloride
CID 21115446
4-benzyl-2-bromo-3-methylpyridine
CID 175801806
4-benzyl-3-methylaniline
CID 12846586

Frequently Asked Questions

What is the IUPAC name of tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane?
The IUPAC name of tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane (CID 88962705) is tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane.
What is the SMILES notation for tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane?
The canonical SMILES for tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane is Cc1ccc(Cc2ccccc2)c(C)c1[Si](Cl)(c1c(C)ccc(Cc2ccccc2)c1C)c1c(C)ccc(Cc2ccccc2)c1C.
What is the InChIKey of tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane?
The InChIKey is NLFIEFJJCGJTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45ClSi/c1-31-22-25-40(28-37-16-10-7-11-17-37)34(4)43(31)47(46,44-32(2)23-26-41(35(44)5)29-38-18-12-8-13-19-38)45-33(3)24-27-42(36(45)6)30-39-20-14-9-15-21-39/h7-27H,28-30H2,1-6H3.
What are the key properties of tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane?
tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane has a molecular weight of 649.39 g/mol, XLogP of 9.52, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane is sourced from PubChem (CID 88962705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).