5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole

C32H30Si — CID 59500118

IUPAC5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole
SMILESCc1ccc(/C=C/c2ccc3c(c2)[Si](C)(C)c2cc(/C=C/c4ccc(C)cc4)ccc2-3)cc1
InChIInChI=1S/C32H30Si/c1-23-5-9-25(10-6-23)13-15-27-17-19-29-30-20-18-28(16-14-26-11-7-24(2)8-12-26)22-32(30)33(3,4)31(29)21-27/h5-22H,1-4H3/b15-13+,16-14+
InChIKeyLIMQWMMKUFERSV-WXUKJITCSA-N
MW442.68 g/mol
LogP7.45
Rot. Bonds4

About 5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole

5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole (PubChem CID 59500118) has the molecular formula C32H30Si and a molecular weight of 442.68 g/mol. Its IUPAC name is 5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole.

Molecular Properties

Compound Name5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole
PubChem CID59500118
Molecular FormulaC32H30Si
Molecular Weight442.68 g/mol
Exact Mass442.21
IUPAC Name5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole
SMILESCc1ccc(/C=C/c2ccc3c(c2)[Si](C)(C)c2cc(/C=C/c4ccc(C)cc4)ccc2-3)cc1
InChIInChI=1S/C32H30Si/c1-23-5-9-25(10-6-23)13-15-27-17-19-29-30-20-18-28(16-14-26-11-7-24(2)8-12-26)22-32(30)33(3,4)31(29)21-27/h5-22H,1-4H3/b15-13+,16-14+
InChIKeyLIMQWMMKUFERSV-WXUKJITCSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.68
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole?
The IUPAC name of 5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole (CID 59500118) is 5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole.
What is the SMILES notation for 5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole?
The canonical SMILES for 5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole is Cc1ccc(/C=C/c2ccc3c(c2)[Si](C)(C)c2cc(/C=C/c4ccc(C)cc4)ccc2-3)cc1.
What is the InChIKey of 5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole?
The InChIKey is LIMQWMMKUFERSV-WXUKJITCSA-N. The full InChI is InChI=1S/C32H30Si/c1-23-5-9-25(10-6-23)13-15-27-17-19-29-30-20-18-28(16-14-26-11-7-24(2)8-12-26)22-32(30)33(3,4)31(29)21-27/h5-22H,1-4H3/b15-13+,16-14+.
What are the key properties of 5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole?
5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole has a molecular weight of 442.68 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole is sourced from PubChem (CID 59500118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).