1,3,3,4,4-pentakis-phenylazetidin-2-one

C33H25NO — CID 5237254

IUPAC1,3,3,4,4-pentakis-phenylazetidin-2-one
SMILESO=C1N(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H25NO/c35-31-32(26-16-6-1-7-17-26,27-18-8-2-9-19-27)33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)34(31)30-24-14-5-15-25-30/h1-25H
InChIKeyQEUIAVAKPKZFLY-UHFFFAOYSA-N
MW451.57 g/mol
LogP6.96
Rot. Bonds5

About 1,3,3,4,4-pentakis-phenylazetidin-2-one

1,3,3,4,4-pentakis-phenylazetidin-2-one (PubChem CID 5237254) has the molecular formula C33H25NO and a molecular weight of 451.57 g/mol. Its IUPAC name is 1,3,3,4,4-pentakis-phenylazetidin-2-one.

Molecular Properties

Compound Name1,3,3,4,4-pentakis-phenylazetidin-2-one
PubChem CID5237254
Molecular FormulaC33H25NO
Molecular Weight451.57 g/mol
Exact Mass451.19
IUPAC Name1,3,3,4,4-pentakis-phenylazetidin-2-one
SMILESO=C1N(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H25NO/c35-31-32(26-16-6-1-7-17-26,27-18-8-2-9-19-27)33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)34(31)30-24-14-5-15-25-30/h1-25H
InChIKeyQEUIAVAKPKZFLY-UHFFFAOYSA-N
XLogP6.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4-pentakis-phenylazetidin-2-one?
The IUPAC name of 1,3,3,4,4-pentakis-phenylazetidin-2-one (CID 5237254) is 1,3,3,4,4-pentakis-phenylazetidin-2-one.
What is the SMILES notation for 1,3,3,4,4-pentakis-phenylazetidin-2-one?
The canonical SMILES for 1,3,3,4,4-pentakis-phenylazetidin-2-one is O=C1N(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3,3,4,4-pentakis-phenylazetidin-2-one?
The InChIKey is QEUIAVAKPKZFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO/c35-31-32(26-16-6-1-7-17-26,27-18-8-2-9-19-27)33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)34(31)30-24-14-5-15-25-30/h1-25H.
What are the key properties of 1,3,3,4,4-pentakis-phenylazetidin-2-one?
1,3,3,4,4-pentakis-phenylazetidin-2-one has a molecular weight of 451.57 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4-pentakis-phenylazetidin-2-one is sourced from PubChem (CID 5237254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).