[4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane

C26H40Si2 — CID 172776969

IUPAC[4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane
SMILESCCC[SiH](CCC)c1ccc(C=Cc2ccc([SiH](CCC)CCC)cc2)cc1
InChIInChI=1S/C26H40Si2/c1-5-19-27(20-6-2)25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)28(21-7-3)22-8-4/h9-18,27-28H,5-8,19-22H2,1-4H3
InChIKeyNSRSVYRCQZCQHE-UHFFFAOYSA-N
MW408.78 g/mol
LogP6.37
Rot. Bonds12

About [4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane

[4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane (PubChem CID 172776969) has the molecular formula C26H40Si2 and a molecular weight of 408.78 g/mol. Its IUPAC name is [4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane.

Molecular Properties

Compound Name[4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane
PubChem CID172776969
Molecular FormulaC26H40Si2
Molecular Weight408.78 g/mol
Exact Mass408.27
IUPAC Name[4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane
SMILESCCC[SiH](CCC)c1ccc(C=Cc2ccc([SiH](CCC)CCC)cc2)cc1
InChIInChI=1S/C26H40Si2/c1-5-19-27(20-6-2)25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)28(21-7-3)22-8-4/h9-18,27-28H,5-8,19-22H2,1-4H3
InChIKeyNSRSVYRCQZCQHE-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.78
LogP ≤ 56.37
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 [4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane?
The IUPAC name of [4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane (CID 172776969) is [4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane.
What is the SMILES notation for [4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane?
The canonical SMILES for [4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane is CCC[SiH](CCC)c1ccc(C=Cc2ccc([SiH](CCC)CCC)cc2)cc1.
What is the InChIKey of [4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane?
The InChIKey is NSRSVYRCQZCQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40Si2/c1-5-19-27(20-6-2)25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)28(21-7-3)22-8-4/h9-18,27-28H,5-8,19-22H2,1-4H3.
What are the key properties of [4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane?
[4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane has a molecular weight of 408.78 g/mol, XLogP of 6.37, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-dipropylsilylphenyl)ethenyl]phenyl]-dipropylsilane is sourced from PubChem (CID 172776969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).