2,3,4-triphenylcyclopenta-2,4-dien-1-one

C23H16O — CID 12722873

IUPAC2,3,4-triphenylcyclopenta-2,4-dien-1-one
SMILESO=C1C=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C23H16O/c24-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-16H
InChIKeySLVLLNWPHDEVTB-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.26
Rot. Bonds3

About 2,3,4-triphenylcyclopenta-2,4-dien-1-one

2,3,4-triphenylcyclopenta-2,4-dien-1-one (PubChem CID 12722873) has the molecular formula C23H16O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,3,4-triphenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,3,4-triphenylcyclopenta-2,4-dien-1-one
PubChem CID12722873
Molecular FormulaC23H16O
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name2,3,4-triphenylcyclopenta-2,4-dien-1-one
SMILESO=C1C=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C23H16O/c24-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-16H
InChIKeySLVLLNWPHDEVTB-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-triphenylcyclopenta-2,4-dien-1-one?
The IUPAC name of 2,3,4-triphenylcyclopenta-2,4-dien-1-one (CID 12722873) is 2,3,4-triphenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,3,4-triphenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,3,4-triphenylcyclopenta-2,4-dien-1-one is O=C1C=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 2,3,4-triphenylcyclopenta-2,4-dien-1-one?
The InChIKey is SLVLLNWPHDEVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O/c24-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 2,3,4-triphenylcyclopenta-2,4-dien-1-one?
2,3,4-triphenylcyclopenta-2,4-dien-1-one has a molecular weight of 308.38 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-triphenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 12722873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).