2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde

C50H38O3Si2 — CID 141250341

IUPAC2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde
SMILESO=Cc1cc(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1-c1cccc(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c1C2
InChIInChI=1S/C50H38O3Si2/c51-37-39-35-40(52-54(41-20-7-1-8-21-41,42-22-9-2-10-23-42)43-24-11-3-12-25-43)34-38-36-48-47(50(38)39)32-19-33-49(48)53-55(44-26-13-4-14-27-44,45-28-15-5-16-29-45)46-30-17-6-18-31-46/h1-35,37H,36H2
InChIKeyQMJFLPFNFJIJGT-UHFFFAOYSA-N
MW743.02 g/mol
LogP7.16
Rot. Bonds11

About 2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde

2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde (PubChem CID 141250341) has the molecular formula C50H38O3Si2 and a molecular weight of 743.02 g/mol. Its IUPAC name is 2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde.

Molecular Properties

Compound Name2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde
PubChem CID141250341
Molecular FormulaC50H38O3Si2
Molecular Weight743.02 g/mol
Exact Mass742.24
IUPAC Name2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde
SMILESO=Cc1cc(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1-c1cccc(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c1C2
InChIInChI=1S/C50H38O3Si2/c51-37-39-35-40(52-54(41-20-7-1-8-21-41,42-22-9-2-10-23-42)43-24-11-3-12-25-43)34-38-36-48-47(50(38)39)32-19-33-49(48)53-55(44-26-13-4-14-27-44,45-28-15-5-16-29-45)46-30-17-6-18-31-46/h1-35,37H,36H2
InChIKeyQMJFLPFNFJIJGT-UHFFFAOYSA-N
XLogP7.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.02
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde?
The IUPAC name of 2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde (CID 141250341) is 2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde.
What is the SMILES notation for 2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde?
The canonical SMILES for 2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde is O=Cc1cc(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1-c1cccc(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c1C2.
What is the InChIKey of 2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde?
The InChIKey is QMJFLPFNFJIJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38O3Si2/c51-37-39-35-40(52-54(41-20-7-1-8-21-41,42-22-9-2-10-23-42)43-24-11-3-12-25-43)34-38-36-48-47(50(38)39)32-19-33-49(48)53-55(44-26-13-4-14-27-44,45-28-15-5-16-29-45)46-30-17-6-18-31-46/h1-35,37H,36H2.
What are the key properties of 2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde?
2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde has a molecular weight of 743.02 g/mol, XLogP of 7.16, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(triphenylsilyloxy)-9H-fluorene-4-carbaldehyde is sourced from PubChem (CID 141250341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).