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

C33H32O2Si — CID 54471201

IUPAC1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole
SMILESCC[Si]1(C)C(c2ccccc2OC)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1OC
InChIInChI=1S/C33H32O2Si/c1-5-36(4)32(26-20-12-14-22-28(26)34-2)30(24-16-8-6-9-17-24)31(25-18-10-7-11-19-25)33(36)27-21-13-15-23-29(27)35-3/h6-23H,5H2,1-4H3
InChIKeyXIMJWDQOWFBJFY-UHFFFAOYSA-N
MW488.70 g/mol
LogP8.42
Rot. Bonds7

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

1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole (PubChem CID 54471201) has the molecular formula C33H32O2Si and a molecular weight of 488.70 g/mol. Its IUPAC name is 1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole.

Molecular Properties

Compound Name1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole
PubChem CID54471201
Molecular FormulaC33H32O2Si
Molecular Weight488.70 g/mol
Exact Mass488.22
IUPAC Name1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole
SMILESCC[Si]1(C)C(c2ccccc2OC)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1OC
InChIInChI=1S/C33H32O2Si/c1-5-36(4)32(26-20-12-14-22-28(26)34-2)30(24-16-8-6-9-17-24)31(25-18-10-7-11-19-25)33(36)27-21-13-15-23-29(27)35-3/h6-23H,5H2,1-4H3
InChIKeyXIMJWDQOWFBJFY-UHFFFAOYSA-N
XLogP8.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.70
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole?
The IUPAC name of 1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole (CID 54471201) is 1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole.
What is the SMILES notation for 1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole?
The canonical SMILES for 1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole is CC[Si]1(C)C(c2ccccc2OC)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1OC.
What is the InChIKey of 1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole?
The InChIKey is XIMJWDQOWFBJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O2Si/c1-5-36(4)32(26-20-12-14-22-28(26)34-2)30(24-16-8-6-9-17-24)31(25-18-10-7-11-19-25)33(36)27-21-13-15-23-29(27)35-3/h6-23H,5H2,1-4H3.
What are the key properties of 1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole?
1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole has a molecular weight of 488.70 g/mol, XLogP of 8.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole is sourced from PubChem (CID 54471201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).