2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole

C31H24F4Si — CID 54384091

IUPAC2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole
SMILESCC[Si]1(C)C(c2ccc(F)c(F)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(F)c(F)c1
InChIInChI=1S/C31H24F4Si/c1-3-36(2)30(22-14-16-24(32)26(34)18-22)28(20-10-6-4-7-11-20)29(21-12-8-5-9-13-21)31(36)23-15-17-25(33)27(35)19-23/h4-19H,3H2,1-2H3
InChIKeyVBZXAWSZMLAJDJ-UHFFFAOYSA-N
MW500.61 g/mol
LogP8.96
Rot. Bonds5

About 2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole

2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole (PubChem CID 54384091) has the molecular formula C31H24F4Si and a molecular weight of 500.61 g/mol. Its IUPAC name is 2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole.

Molecular Properties

Compound Name2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole
PubChem CID54384091
Molecular FormulaC31H24F4Si
Molecular Weight500.61 g/mol
Exact Mass500.16
IUPAC Name2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole
SMILESCC[Si]1(C)C(c2ccc(F)c(F)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(F)c(F)c1
InChIInChI=1S/C31H24F4Si/c1-3-36(2)30(22-14-16-24(32)26(34)18-22)28(20-10-6-4-7-11-20)29(21-12-8-5-9-13-21)31(36)23-15-17-25(33)27(35)19-23/h4-19H,3H2,1-2H3
InChIKeyVBZXAWSZMLAJDJ-UHFFFAOYSA-N
XLogP8.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 58.96
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 2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole?
The IUPAC name of 2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole (CID 54384091) is 2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole.
What is the SMILES notation for 2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole?
The canonical SMILES for 2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole is CC[Si]1(C)C(c2ccc(F)c(F)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(F)c(F)c1.
What is the InChIKey of 2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole?
The InChIKey is VBZXAWSZMLAJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F4Si/c1-3-36(2)30(22-14-16-24(32)26(34)18-22)28(20-10-6-4-7-11-20)29(21-12-8-5-9-13-21)31(36)23-15-17-25(33)27(35)19-23/h4-19H,3H2,1-2H3.
What are the key properties of 2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole?
2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole has a molecular weight of 500.61 g/mol, XLogP of 8.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole is sourced from PubChem (CID 54384091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).