chloro-tris(2-phenylphenyl)silane

C36H27ClSi — CID 5058172

IUPACchloro-tris(2-phenylphenyl)silane
SMILESCl[Si](c1ccccc1-c1ccccc1)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C36H27ClSi/c37-38(34-25-13-10-22-31(34)28-16-4-1-5-17-28,35-26-14-11-23-32(35)29-18-6-2-7-19-29)36-27-15-12-24-33(36)30-20-8-3-9-21-30/h1-27H
InChIKeyLTYODMKUGCXETB-UHFFFAOYSA-N
MW523.15 g/mol
LogP7.89
Rot. Bonds6

About chloro-tris(2-phenylphenyl)silane

chloro-tris(2-phenylphenyl)silane (PubChem CID 5058172) has the molecular formula C36H27ClSi and a molecular weight of 523.15 g/mol. Its IUPAC name is chloro-tris(2-phenylphenyl)silane.

Molecular Properties

Compound Namechloro-tris(2-phenylphenyl)silane
PubChem CID5058172
Molecular FormulaC36H27ClSi
Molecular Weight523.15 g/mol
Exact Mass522.16
IUPAC Namechloro-tris(2-phenylphenyl)silane
SMILESCl[Si](c1ccccc1-c1ccccc1)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C36H27ClSi/c37-38(34-25-13-10-22-31(34)28-16-4-1-5-17-28,35-26-14-11-23-32(35)29-18-6-2-7-19-29)36-27-15-12-24-33(36)30-20-8-3-9-21-30/h1-27H
InChIKeyLTYODMKUGCXETB-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.15
LogP ≤ 57.89
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-tris(2-phenylphenyl)silane?
The IUPAC name of chloro-tris(2-phenylphenyl)silane (CID 5058172) is chloro-tris(2-phenylphenyl)silane.
What is the SMILES notation for chloro-tris(2-phenylphenyl)silane?
The canonical SMILES for chloro-tris(2-phenylphenyl)silane is Cl[Si](c1ccccc1-c1ccccc1)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of chloro-tris(2-phenylphenyl)silane?
The InChIKey is LTYODMKUGCXETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27ClSi/c37-38(34-25-13-10-22-31(34)28-16-4-1-5-17-28,35-26-14-11-23-32(35)29-18-6-2-7-19-29)36-27-15-12-24-33(36)30-20-8-3-9-21-30/h1-27H.
What are the key properties of chloro-tris(2-phenylphenyl)silane?
chloro-tris(2-phenylphenyl)silane has a molecular weight of 523.15 g/mol, XLogP of 7.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(2-phenylphenyl)silane is sourced from PubChem (CID 5058172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).