1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole

C34H34Si — CID 54005136

IUPAC1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole
SMILESCC[Si]1(CC)C(c2ccccc2C)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1C
InChIInChI=1S/C34H34Si/c1-5-35(6-2)33(29-23-15-13-17-25(29)3)31(27-19-9-7-10-20-27)32(28-21-11-8-12-22-28)34(35)30-24-16-14-18-26(30)4/h7-24H,5-6H2,1-4H3
InChIKeyKOIAQIZDHPUUNH-UHFFFAOYSA-N
MW470.73 g/mol
LogP9.41
Rot. Bonds6

About 1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole

1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole (PubChem CID 54005136) has the molecular formula C34H34Si and a molecular weight of 470.73 g/mol. Its IUPAC name is 1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole.

Molecular Properties

Compound Name1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole
PubChem CID54005136
Molecular FormulaC34H34Si
Molecular Weight470.73 g/mol
Exact Mass470.24
IUPAC Name1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole
SMILESCC[Si]1(CC)C(c2ccccc2C)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1C
InChIInChI=1S/C34H34Si/c1-5-35(6-2)33(29-23-15-13-17-25(29)3)31(27-19-9-7-10-20-27)32(28-21-11-8-12-22-28)34(35)30-24-16-14-18-26(30)4/h7-24H,5-6H2,1-4H3
InChIKeyKOIAQIZDHPUUNH-UHFFFAOYSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.73
LogP ≤ 59.41
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'}

Analyze 1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole?
The IUPAC name of 1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole (CID 54005136) is 1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole.
What is the SMILES notation for 1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole?
The canonical SMILES for 1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole is CC[Si]1(CC)C(c2ccccc2C)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1C.
What is the InChIKey of 1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole?
The InChIKey is KOIAQIZDHPUUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34Si/c1-5-35(6-2)33(29-23-15-13-17-25(29)3)31(27-19-9-7-10-20-27)32(28-21-11-8-12-22-28)34(35)30-24-16-14-18-26(30)4/h7-24H,5-6H2,1-4H3.
What are the key properties of 1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole?
1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole has a molecular weight of 470.73 g/mol, XLogP of 9.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole is sourced from PubChem (CID 54005136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).