1,2,3,4,5-Pentaphenyl-1H-silole

C34H25Si — CID 12722759

IUPAC—
SMILESc1ccc(C2=C(c3ccccc3)[Si](c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C34H25Si/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25H
InChIKeyDTYYMDKMTQQVMG-UHFFFAOYSA-N
MW461.66 g/mol
LogP7.70
Rot. Bonds5

About 1,2,3,4,5-Pentaphenyl-1H-silole

1,2,3,4,5-Pentaphenyl-1H-silole (PubChem CID 12722759) has the molecular formula C34H25Si and a molecular weight of 461.66 g/mol.

Molecular Properties

Compound Name1,2,3,4,5-Pentaphenyl-1H-silole
PubChem CID12722759
Molecular FormulaC34H25Si
Molecular Weight461.66 g/mol
Exact Mass461.17
IUPAC Name—
SMILESc1ccc(C2=C(c3ccccc3)[Si](c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C34H25Si/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25H
InChIKeyDTYYMDKMTQQVMG-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.66
LogP ≤ 57.70
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 1,2,3,4,5-Pentaphenyl-1H-silole?
The IUPAC name of 1,2,3,4,5-Pentaphenyl-1H-silole (CID 12722759) is not available.
What is the SMILES notation for 1,2,3,4,5-Pentaphenyl-1H-silole?
The canonical SMILES for 1,2,3,4,5-Pentaphenyl-1H-silole is c1ccc(C2=C(c3ccccc3)[Si](c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1.
What is the InChIKey of 1,2,3,4,5-Pentaphenyl-1H-silole?
The InChIKey is DTYYMDKMTQQVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25Si/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25H.
What are the key properties of 1,2,3,4,5-Pentaphenyl-1H-silole?
1,2,3,4,5-Pentaphenyl-1H-silole has a molecular weight of 461.66 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-Pentaphenyl-1H-silole is sourced from PubChem (CID 12722759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).