5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one

C33H31NO2Se — CID 10674260

IUPAC5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(O)(c2ccccc2)N1CCCCC[Se]c1ccccc1
InChIInChI=1S/C33H31NO2Se/c35-32-30(26-16-6-1-7-17-26)31(27-18-8-2-9-19-27)33(36,28-20-10-3-11-21-28)34(32)24-14-5-15-25-37-29-22-12-4-13-23-29/h1-4,6-13,16-23,36H,5,14-15,24-25H2
InChIKeyCSXVRTQIQSJTAV-UHFFFAOYSA-N
MW552.58 g/mol
LogP5.90
Rot. Bonds10

About 5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one

5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one (PubChem CID 10674260) has the molecular formula C33H31NO2Se and a molecular weight of 552.58 g/mol. Its IUPAC name is 5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one.

Molecular Properties

Compound Name5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one
PubChem CID10674260
Molecular FormulaC33H31NO2Se
Molecular Weight552.58 g/mol
Exact Mass553.15
IUPAC Name5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(O)(c2ccccc2)N1CCCCC[Se]c1ccccc1
InChIInChI=1S/C33H31NO2Se/c35-32-30(26-16-6-1-7-17-26)31(27-18-8-2-9-19-27)33(36,28-20-10-3-11-21-28)34(32)24-14-5-15-25-37-29-22-12-4-13-23-29/h1-4,6-13,16-23,36H,5,14-15,24-25H2
InChIKeyCSXVRTQIQSJTAV-UHFFFAOYSA-N
XLogP5.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.58
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(3,5-Dimethylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
CID 66773650
3-Hydroxy-3-phenyl-2-(2-phenylethyl)-1-isoindolinone
CID 2974992
2-[4-[[(3-Methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
CID 23080067
2-[4-[[(3-Fluorobenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
CID 66774976
2-[4-[[Benzoyl(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
CID 66775429
2,3-dibenzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
CID 2898219
1-Benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one
CID 72545892
3-benzyl-2-(diphenylmethyl)-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
CID 2898217
N-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide
CID 122200885
5-Hydroxy-1-methyl-3,5-diphenylpyrrol-2-one
CID 72546354
[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 10771675
2-Benzyl-3-hydroxy-3-phenyl-1-isoindolinone
CID 13261402

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one?
The IUPAC name of 5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one (CID 10674260) is 5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one.
What is the SMILES notation for 5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one?
The canonical SMILES for 5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one is O=C1C(c2ccccc2)=C(c2ccccc2)C(O)(c2ccccc2)N1CCCCC[Se]c1ccccc1.
What is the InChIKey of 5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one?
The InChIKey is CSXVRTQIQSJTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NO2Se/c35-32-30(26-16-6-1-7-17-26)31(27-18-8-2-9-19-27)33(36,28-20-10-3-11-21-28)34(32)24-14-5-15-25-37-29-22-12-4-13-23-29/h1-4,6-13,16-23,36H,5,14-15,24-25H2.
What are the key properties of 5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one?
5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one has a molecular weight of 552.58 g/mol, XLogP of 5.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one is sourced from PubChem (CID 10674260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).