diphenyl(3-phenylpropyl)silane

C21H22Si — CID 4189462

IUPACdiphenyl(3-phenylpropyl)silane
SMILESc1ccc(CCC[SiH](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22Si/c1-4-11-19(12-5-1)13-10-18-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-9,11-12,14-17,22H,10,13,18H2
InChIKeyJXAKKWNQBKMMPU-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.66
Rot. Bonds6

About diphenyl(3-phenylpropyl)silane

diphenyl(3-phenylpropyl)silane (PubChem CID 4189462) has the molecular formula C21H22Si and a molecular weight of 302.49 g/mol. Its IUPAC name is diphenyl(3-phenylpropyl)silane.

Molecular Properties

Compound Namediphenyl(3-phenylpropyl)silane
PubChem CID4189462
Molecular FormulaC21H22Si
Molecular Weight302.49 g/mol
Exact Mass302.15
IUPAC Namediphenyl(3-phenylpropyl)silane
SMILESc1ccc(CCC[SiH](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22Si/c1-4-11-19(12-5-1)13-10-18-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-9,11-12,14-17,22H,10,13,18H2
InChIKeyJXAKKWNQBKMMPU-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl(3-phenylpropyl)silane?
The IUPAC name of diphenyl(3-phenylpropyl)silane (CID 4189462) is diphenyl(3-phenylpropyl)silane.
What is the SMILES notation for diphenyl(3-phenylpropyl)silane?
The canonical SMILES for diphenyl(3-phenylpropyl)silane is c1ccc(CCC[SiH](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl(3-phenylpropyl)silane?
The InChIKey is JXAKKWNQBKMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Si/c1-4-11-19(12-5-1)13-10-18-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-9,11-12,14-17,22H,10,13,18H2.
What are the key properties of diphenyl(3-phenylpropyl)silane?
diphenyl(3-phenylpropyl)silane has a molecular weight of 302.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(3-phenylpropyl)silane is sourced from PubChem (CID 4189462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).