1,1-dichloro-2,3,4,5-tetraphenylsilole

C28H20Cl2Si — CID 11430979

IUPAC1,1-dichloro-2,3,4,5-tetraphenylsilole
SMILESCl[Si]1(Cl)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C28H20Cl2Si/c29-31(30)27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(31)24-19-11-4-12-20-24/h1-20H
InChIKeyHBMGBSZUXZVZTH-UHFFFAOYSA-N
MW455.46 g/mol
LogP8.22
Rot. Bonds4

About 1,1-dichloro-2,3,4,5-tetraphenylsilole

1,1-dichloro-2,3,4,5-tetraphenylsilole (PubChem CID 11430979) has the molecular formula C28H20Cl2Si and a molecular weight of 455.46 g/mol. Its IUPAC name is 1,1-dichloro-2,3,4,5-tetraphenylsilole.

Molecular Properties

Compound Name1,1-dichloro-2,3,4,5-tetraphenylsilole
PubChem CID11430979
Molecular FormulaC28H20Cl2Si
Molecular Weight455.46 g/mol
Exact Mass454.07
IUPAC Name1,1-dichloro-2,3,4,5-tetraphenylsilole
SMILESCl[Si]1(Cl)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C28H20Cl2Si/c29-31(30)27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(31)24-19-11-4-12-20-24/h1-20H
InChIKeyHBMGBSZUXZVZTH-UHFFFAOYSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.46
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2,3,4,5-tetraphenylsilole?
The IUPAC name of 1,1-dichloro-2,3,4,5-tetraphenylsilole (CID 11430979) is 1,1-dichloro-2,3,4,5-tetraphenylsilole.
What is the SMILES notation for 1,1-dichloro-2,3,4,5-tetraphenylsilole?
The canonical SMILES for 1,1-dichloro-2,3,4,5-tetraphenylsilole is Cl[Si]1(Cl)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1,1-dichloro-2,3,4,5-tetraphenylsilole?
The InChIKey is HBMGBSZUXZVZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2Si/c29-31(30)27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(31)24-19-11-4-12-20-24/h1-20H.
What are the key properties of 1,1-dichloro-2,3,4,5-tetraphenylsilole?
1,1-dichloro-2,3,4,5-tetraphenylsilole has a molecular weight of 455.46 g/mol, XLogP of 8.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,3,4,5-tetraphenylsilole is sourced from PubChem (CID 11430979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).