2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one

C47H40OSi2 — CID 10897710

IUPAC2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C1=C(c2ccccc2)C(c2ccccc2)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C47H40OSi2/c1-3-35-49(39-27-15-7-16-28-39,40-29-17-8-18-30-40)46-43(37-23-11-5-12-24-37)44(38-25-13-6-14-26-38)47(45(46)48)50(36-4-2,41-31-19-9-20-32-41)42-33-21-10-22-34-42/h3-34H,1-2,35-36H2
InChIKeyODRCBDMWMWQMBY-UHFFFAOYSA-N
MW677.01 g/mol
LogP8.45
Rot. Bonds12

About 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one

2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one (PubChem CID 10897710) has the molecular formula C47H40OSi2 and a molecular weight of 677.01 g/mol. Its IUPAC name is 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one
PubChem CID10897710
Molecular FormulaC47H40OSi2
Molecular Weight677.01 g/mol
Exact Mass676.26
IUPAC Name2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C1=C(c2ccccc2)C(c2ccccc2)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C47H40OSi2/c1-3-35-49(39-27-15-7-16-28-39,40-29-17-8-18-30-40)46-43(37-23-11-5-12-24-37)44(38-25-13-6-14-26-38)47(45(46)48)50(36-4-2,41-31-19-9-20-32-41)42-33-21-10-22-34-42/h3-34H,1-2,35-36H2
InChIKeyODRCBDMWMWQMBY-UHFFFAOYSA-N
XLogP8.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.01
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bis(dibenzylideneacetone)palladium
CID 9811564
Tris(dibenzylideneacetone) dipalladium
CID 9832798
Tris(dibenzylideneacetone)platinum(0)
CID 54768455
1,5-Diphenylpenta-1,4-dien-3-one
CID 157881154
1,1,2,3,4,5-Hexaphenyl-1H-silole
CID 20758316
(E)-3-phenyl-1-triphenylsilylprop-2-en-1-one
CID 15033620
(2E,4E)-5-phenyl-1-triphenylsilylpenta-2,4-dien-1-one
CID 15681857
1,2,3,4,6,7,8,9-Octaphenyl-5-silaspiro[4.4]nona-1,3,6,8-tetraene
CID 71353124
1-Methyl-1-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
CID 101737078
Bis[tris(dibenzylideneacetone)palladium(0)]
CID 9897285
Pt2(dba)3
CID 10931176
1,1,2,2-Tetramethyl-3,4,5,6-tetraphenyl-1,2-disila-3,5-cyclohexadiene
CID 11145157

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one?
The IUPAC name of 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one (CID 10897710) is 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one is C=CC[Si](C1=C(c2ccccc2)C(c2ccccc2)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one?
The InChIKey is ODRCBDMWMWQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40OSi2/c1-3-35-49(39-27-15-7-16-28-39,40-29-17-8-18-30-40)46-43(37-23-11-5-12-24-37)44(38-25-13-6-14-26-38)47(45(46)48)50(36-4-2,41-31-19-9-20-32-41)42-33-21-10-22-34-42/h3-34H,1-2,35-36H2.
What are the key properties of 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one?
2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one has a molecular weight of 677.01 g/mol, XLogP of 8.45, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 10897710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).