1-methyl-1,2,3,4,5-pentakis-phenylsilole

C35H28Si — CID 13140412

IUPAC1-methyl-1,2,3,4,5-pentakis-phenylsilole
SMILESC[Si]1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C35H28Si/c1-36(31-25-15-6-16-26-31)34(29-21-11-4-12-22-29)32(27-17-7-2-8-18-27)33(28-19-9-3-10-20-28)35(36)30-23-13-5-14-24-30/h2-26H,1H3
InChIKeyNPRFXRHWTRERQD-UHFFFAOYSA-N
MW476.70 g/mol
LogP8.29
Rot. Bonds5

About 1-methyl-1,2,3,4,5-pentakis-phenylsilole

1-methyl-1,2,3,4,5-pentakis-phenylsilole (PubChem CID 13140412) has the molecular formula C35H28Si and a molecular weight of 476.70 g/mol. Its IUPAC name is 1-methyl-1,2,3,4,5-pentakis-phenylsilole.

Molecular Properties

Compound Name1-methyl-1,2,3,4,5-pentakis-phenylsilole
PubChem CID13140412
Molecular FormulaC35H28Si
Molecular Weight476.70 g/mol
Exact Mass476.20
IUPAC Name1-methyl-1,2,3,4,5-pentakis-phenylsilole
SMILESC[Si]1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C35H28Si/c1-36(31-25-15-6-16-26-31)34(29-21-11-4-12-22-29)32(27-17-7-2-8-18-27)33(28-19-9-3-10-20-28)35(36)30-23-13-5-14-24-30/h2-26H,1H3
InChIKeyNPRFXRHWTRERQD-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.70
LogP ≤ 58.29
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 1-methyl-1,2,3,4,5-pentakis-phenylsilole?
The IUPAC name of 1-methyl-1,2,3,4,5-pentakis-phenylsilole (CID 13140412) is 1-methyl-1,2,3,4,5-pentakis-phenylsilole.
What is the SMILES notation for 1-methyl-1,2,3,4,5-pentakis-phenylsilole?
The canonical SMILES for 1-methyl-1,2,3,4,5-pentakis-phenylsilole is C[Si]1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1-methyl-1,2,3,4,5-pentakis-phenylsilole?
The InChIKey is NPRFXRHWTRERQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28Si/c1-36(31-25-15-6-16-26-31)34(29-21-11-4-12-22-29)32(27-17-7-2-8-18-27)33(28-19-9-3-10-20-28)35(36)30-23-13-5-14-24-30/h2-26H,1H3.
What are the key properties of 1-methyl-1,2,3,4,5-pentakis-phenylsilole?
1-methyl-1,2,3,4,5-pentakis-phenylsilole has a molecular weight of 476.70 g/mol, XLogP of 8.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4,5-pentakis-phenylsilole is sourced from PubChem (CID 13140412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).