(5-hexyl-2,3-diphenylphenyl)-trimethylsilane

C27H34Si — CID 102204410

IUPAC(5-hexyl-2,3-diphenylphenyl)-trimethylsilane
SMILESCCCCCCc1cc(-c2ccccc2)c(-c2ccccc2)c([Si](C)(C)C)c1
InChIInChI=1S/C27H34Si/c1-5-6-7-10-15-22-20-25(23-16-11-8-12-17-23)27(24-18-13-9-14-19-24)26(21-22)28(2,3)4/h8-9,11-14,16-21H,5-7,10,15H2,1-4H3
InChIKeyNJAVNJVDMRTGQQ-UHFFFAOYSA-N
MW386.65 g/mol
LogP7.69
Rot. Bonds8

About (5-hexyl-2,3-diphenylphenyl)-trimethylsilane

(5-hexyl-2,3-diphenylphenyl)-trimethylsilane (PubChem CID 102204410) has the molecular formula C27H34Si and a molecular weight of 386.65 g/mol. Its IUPAC name is (5-hexyl-2,3-diphenylphenyl)-trimethylsilane.

Molecular Properties

Compound Name(5-hexyl-2,3-diphenylphenyl)-trimethylsilane
PubChem CID102204410
Molecular FormulaC27H34Si
Molecular Weight386.65 g/mol
Exact Mass386.24
IUPAC Name(5-hexyl-2,3-diphenylphenyl)-trimethylsilane
SMILESCCCCCCc1cc(-c2ccccc2)c(-c2ccccc2)c([Si](C)(C)C)c1
InChIInChI=1S/C27H34Si/c1-5-6-7-10-15-22-20-25(23-16-11-8-12-17-23)27(24-18-13-9-14-19-24)26(21-22)28(2,3)4/h8-9,11-14,16-21H,5-7,10,15H2,1-4H3
InChIKeyNJAVNJVDMRTGQQ-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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4-pentyl-2-phenylphenol
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Frequently Asked Questions

What is the IUPAC name of (5-hexyl-2,3-diphenylphenyl)-trimethylsilane?
The IUPAC name of (5-hexyl-2,3-diphenylphenyl)-trimethylsilane (CID 102204410) is (5-hexyl-2,3-diphenylphenyl)-trimethylsilane.
What is the SMILES notation for (5-hexyl-2,3-diphenylphenyl)-trimethylsilane?
The canonical SMILES for (5-hexyl-2,3-diphenylphenyl)-trimethylsilane is CCCCCCc1cc(-c2ccccc2)c(-c2ccccc2)c([Si](C)(C)C)c1.
What is the InChIKey of (5-hexyl-2,3-diphenylphenyl)-trimethylsilane?
The InChIKey is NJAVNJVDMRTGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34Si/c1-5-6-7-10-15-22-20-25(23-16-11-8-12-17-23)27(24-18-13-9-14-19-24)26(21-22)28(2,3)4/h8-9,11-14,16-21H,5-7,10,15H2,1-4H3.
What are the key properties of (5-hexyl-2,3-diphenylphenyl)-trimethylsilane?
(5-hexyl-2,3-diphenylphenyl)-trimethylsilane has a molecular weight of 386.65 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hexyl-2,3-diphenylphenyl)-trimethylsilane is sourced from PubChem (CID 102204410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).