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

C50H46OSi3 — CID 134977397

IUPAC2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C1=CC([Si](CC=C)(c2ccccc2)c2ccccc2)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H46OSi3/c1-4-37-52(41-25-13-7-14-26-41,42-27-15-8-16-28-42)47-40-48(53(38-5-2,43-29-17-9-18-30-43)44-31-19-10-20-32-44)50(49(47)51)54(39-6-3,45-33-21-11-22-34-45)46-35-23-12-24-36-46/h4-36,40H,1-3,37-39H2
InChIKeyVSRIAKGCQBUSLD-UHFFFAOYSA-N
MW747.17 g/mol
LogP7.76
Rot. Bonds15

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

2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one (PubChem CID 134977397) has the molecular formula C50H46OSi3 and a molecular weight of 747.17 g/mol. Its IUPAC name is 2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
PubChem CID134977397
Molecular FormulaC50H46OSi3
Molecular Weight747.17 g/mol
Exact Mass746.29
IUPAC Name2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C1=CC([Si](CC=C)(c2ccccc2)c2ccccc2)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H46OSi3/c1-4-37-52(41-25-13-7-14-26-41,42-27-15-8-16-28-42)47-40-48(53(38-5-2,43-29-17-9-18-30-43)44-31-19-10-20-32-44)50(49(47)51)54(39-6-3,45-33-21-11-22-34-45)46-35-23-12-24-36-46/h4-36,40H,1-3,37-39H2
InChIKeyVSRIAKGCQBUSLD-UHFFFAOYSA-N
XLogP7.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.17
LogP ≤ 57.76
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

1,2-Bis(triphenylsilyl)ethane
CID 3281864
1,4-Bis(triphenylsilyl)butane
CID 4369737
1,1-Bis(triphenylsilyl)ethanol
CID 4427596
(Z)-4-bis(triphenylsilyloxy)alumanyloxypent-3-en-2-one
CID 141687801
Methylenebis(triphenylsilane)
CID 4583565
1,3-Bis(triphenylsilyl)-1-propene
CID 6156391
2,5-Bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 10897710
2,5-Bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
CID 11005892
3,4-Dibutyl-2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
CID 15400127
2,5-Bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one
CID 15400139
diphenyl-bis[(E)-3-triphenylsilylprop-2-enyl]silane
CID 15467024
(E)-4-triphenylsilylbut-3-en-2-one
CID 101774289

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one?
The IUPAC name of 2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one (CID 134977397) is 2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one is C=CC[Si](C1=CC([Si](CC=C)(c2ccccc2)c2ccccc2)=C([Si](CC=C)(c2ccccc2)c2ccccc2)C1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one?
The InChIKey is VSRIAKGCQBUSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46OSi3/c1-4-37-52(41-25-13-7-14-26-41,42-27-15-8-16-28-42)47-40-48(53(38-5-2,43-29-17-9-18-30-43)44-31-19-10-20-32-44)50(49(47)51)54(39-6-3,45-33-21-11-22-34-45)46-35-23-12-24-36-46/h4-36,40H,1-3,37-39H2.
What are the key properties of 2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one?
2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one has a molecular weight of 747.17 g/mol, XLogP of 7.76, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 134977397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).