1,1,2,3,4,5-hexakis-phenylsilole

C40H30Si — CID 20758316

IUPAC1,1,2,3,4,5-hexakis-phenylsilole
SMILESc1ccc(C2=C(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C40H30Si/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)41(35-27-15-5-16-28-35,36-29-17-6-18-30-36)39(37)33-23-11-3-12-24-33/h1-30H
InChIKeyQAKMXYFDVPDIPT-UHFFFAOYSA-N
MW538.77 g/mol
LogP8.56
Rot. Bonds6

About 1,1,2,3,4,5-hexakis-phenylsilole

1,1,2,3,4,5-hexakis-phenylsilole (PubChem CID 20758316) has the molecular formula C40H30Si and a molecular weight of 538.77 g/mol. Its IUPAC name is 1,1,2,3,4,5-hexakis-phenylsilole.

Molecular Properties

Compound Name1,1,2,3,4,5-hexakis-phenylsilole
PubChem CID20758316
Molecular FormulaC40H30Si
Molecular Weight538.77 g/mol
Exact Mass538.21
IUPAC Name1,1,2,3,4,5-hexakis-phenylsilole
SMILESc1ccc(C2=C(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C40H30Si/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)41(35-27-15-5-16-28-35,36-29-17-6-18-30-36)39(37)33-23-11-3-12-24-33/h1-30H
InChIKeyQAKMXYFDVPDIPT-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.77
LogP ≤ 58.56
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 1,1,2,3,4,5-hexakis-phenylsilole 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 1,1,2,3,4,5-hexakis-phenylsilole?
The IUPAC name of 1,1,2,3,4,5-hexakis-phenylsilole (CID 20758316) is 1,1,2,3,4,5-hexakis-phenylsilole.
What is the SMILES notation for 1,1,2,3,4,5-hexakis-phenylsilole?
The canonical SMILES for 1,1,2,3,4,5-hexakis-phenylsilole is c1ccc(C2=C(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1.
What is the InChIKey of 1,1,2,3,4,5-hexakis-phenylsilole?
The InChIKey is QAKMXYFDVPDIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30Si/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)41(35-27-15-5-16-28-35,36-29-17-6-18-30-36)39(37)33-23-11-3-12-24-33/h1-30H.
What are the key properties of 1,1,2,3,4,5-hexakis-phenylsilole?
1,1,2,3,4,5-hexakis-phenylsilole has a molecular weight of 538.77 g/mol, XLogP of 8.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,5-hexakis-phenylsilole is sourced from PubChem (CID 20758316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).