4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane

C25H32Si — CID 12730932

IUPAC4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane
SMILESCC(C)C[Si](C)(C=C=C=C(c1ccccc1)c1ccccc1)CC(C)C
InChIInChI=1S/C25H32Si/c1-21(2)19-26(5,20-22(3)4)18-12-17-25(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,18,21-22H,19-20H2,1-5H3
InChIKeyAUQXSYUKNFFTKX-UHFFFAOYSA-N
MW360.62 g/mol
LogP7.36
Rot. Bonds7

About 4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane

4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane (PubChem CID 12730932) has the molecular formula C25H32Si and a molecular weight of 360.62 g/mol. Its IUPAC name is 4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane.

Molecular Properties

Compound Name4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane
PubChem CID12730932
Molecular FormulaC25H32Si
Molecular Weight360.62 g/mol
Exact Mass360.23
IUPAC Name4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane
SMILESCC(C)C[Si](C)(C=C=C=C(c1ccccc1)c1ccccc1)CC(C)C
InChIInChI=1S/C25H32Si/c1-21(2)19-26(5,20-22(3)4)18-12-17-25(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,18,21-22H,19-20H2,1-5H3
InChIKeyAUQXSYUKNFFTKX-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.62
LogP ≤ 57.36
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 4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane?
The IUPAC name of 4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane (CID 12730932) is 4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane.
What is the SMILES notation for 4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane?
The canonical SMILES for 4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane is CC(C)C[Si](C)(C=C=C=C(c1ccccc1)c1ccccc1)CC(C)C.
What is the InChIKey of 4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane?
The InChIKey is AUQXSYUKNFFTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Si/c1-21(2)19-26(5,20-22(3)4)18-12-17-25(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,18,21-22H,19-20H2,1-5H3.
What are the key properties of 4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane?
4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane has a molecular weight of 360.62 g/mol, XLogP of 7.36, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane is sourced from PubChem (CID 12730932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).