5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole

C25H20Si — CID 3437497

IUPAC5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole
SMILESC[Si]1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H20Si/c1-26(23-16-8-5-13-20(23)19-11-3-2-4-12-19)24-17-9-6-14-21(24)22-15-7-10-18-25(22)26/h2-18H,1H3
InChIKeyHAISEXNNSIJVQF-UHFFFAOYSA-N
MW348.52 g/mol
LogP4.43
Rot. Bonds2

About 5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole

5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole (PubChem CID 3437497) has the molecular formula C25H20Si and a molecular weight of 348.52 g/mol. Its IUPAC name is 5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole.

Molecular Properties

Compound Name5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole
PubChem CID3437497
Molecular FormulaC25H20Si
Molecular Weight348.52 g/mol
Exact Mass348.13
IUPAC Name5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole
SMILESC[Si]1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H20Si/c1-26(23-16-8-5-13-20(23)19-11-3-2-4-12-19)24-17-9-6-14-21(24)22-15-7-10-18-25(22)26/h2-18H,1H3
InChIKeyHAISEXNNSIJVQF-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole?
The IUPAC name of 5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole (CID 3437497) is 5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole.
What is the SMILES notation for 5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole?
The canonical SMILES for 5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole is C[Si]1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole?
The InChIKey is HAISEXNNSIJVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Si/c1-26(23-16-8-5-13-20(23)19-11-3-2-4-12-19)24-17-9-6-14-21(24)22-15-7-10-18-25(22)26/h2-18H,1H3.
What are the key properties of 5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole?
5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole has a molecular weight of 348.52 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(2-phenylphenyl)benzo[b][1]benzosilole is sourced from PubChem (CID 3437497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).