bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane

C33H32Si — CID 159485214

IUPACbis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane
SMILESCC(C)=CCC[Si](C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C33H32Si/c1-23(2)13-12-22-34(3,32-28-18-8-4-14-24(28)25-15-5-9-19-29(25)32)33-30-20-10-6-16-26(30)27-17-7-11-21-31(27)33/h4-11,13-21,32-33H,12,22H2,1-3H3
InChIKeyGHLWLVHUKIPKHX-UHFFFAOYSA-N
MW456.71 g/mol
LogP9.12
Rot. Bonds5

About bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane

bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane (PubChem CID 159485214) has the molecular formula C33H32Si and a molecular weight of 456.71 g/mol. Its IUPAC name is bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane.

Molecular Properties

Compound Namebis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane
PubChem CID159485214
Molecular FormulaC33H32Si
Molecular Weight456.71 g/mol
Exact Mass456.23
IUPAC Namebis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane
SMILESCC(C)=CCC[Si](C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C33H32Si/c1-23(2)13-12-22-34(3,32-28-18-8-4-14-24(28)25-15-5-9-19-29(25)32)33-30-20-10-6-16-26(30)27-17-7-11-21-31(27)33/h4-11,13-21,32-33H,12,22H2,1-3H3
InChIKeyGHLWLVHUKIPKHX-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.71
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane?
The IUPAC name of bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane (CID 159485214) is bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane.
What is the SMILES notation for bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane?
The canonical SMILES for bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane is CC(C)=CCC[Si](C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.
What is the InChIKey of bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane?
The InChIKey is GHLWLVHUKIPKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32Si/c1-23(2)13-12-22-34(3,32-28-18-8-4-14-24(28)25-15-5-9-19-29(25)32)33-30-20-10-6-16-26(30)27-17-7-11-21-31(27)33/h4-11,13-21,32-33H,12,22H2,1-3H3.
What are the key properties of bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane?
bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane has a molecular weight of 456.71 g/mol, XLogP of 9.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane is sourced from PubChem (CID 159485214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).