2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one

C41H32OSi2 — CID 102500774

IUPAC2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one
SMILESO=C1C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)=CC=C1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H32OSi2/c42-41-39(43(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)31-32-40(41)44(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-32H
InChIKeyGXAFBPUXCXYYRG-UHFFFAOYSA-N
MW596.88 g/mol
LogP4.84
Rot. Bonds8

About 2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one

2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one (PubChem CID 102500774) has the molecular formula C41H32OSi2 and a molecular weight of 596.88 g/mol. Its IUPAC name is 2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one
PubChem CID102500774
Molecular FormulaC41H32OSi2
Molecular Weight596.88 g/mol
Exact Mass596.20
IUPAC Name2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one
SMILESO=C1C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)=CC=C1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H32OSi2/c42-41-39(43(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)31-32-40(41)44(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-32H
InChIKeyGXAFBPUXCXYYRG-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.88
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-Bis(triphenylsilyl)benzene
CID 297509
1,3-Bis(triphenylsilyl)benzene
CID 4351127
(2E)-1-triphenylsilylpenta-2,4-dien-1-one
CID 14934037
1,1-Bis(triphenylsilyl)ethanol
CID 4427596
Diphenyl-bis(4-triphenylsilylphenyl)silane
CID 59336453
(Z)-4-bis(triphenylsilyloxy)alumanyloxypent-3-en-2-one
CID 141687801
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
(6S)-6-triphenylsilylcyclohex-2-en-1-one
CID 102273841
Bis(triphenylsiloxy)mercurane
CID 129680439

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one?
The IUPAC name of 2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one (CID 102500774) is 2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one is O=C1C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)=CC=C1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one?
The InChIKey is GXAFBPUXCXYYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32OSi2/c42-41-39(43(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)31-32-40(41)44(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-32H.
What are the key properties of 2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one?
2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one has a molecular weight of 596.88 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(triphenylsilyl)cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 102500774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).