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MFCD00437106 molecular structure
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1-(4-phenylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

ChemBase ID: 91519
Molecular Formular: C16H11NO2
Molecular Mass: 249.26404
Monoisotopic Mass: 249.0789786
SMILES and InChIs

SMILES:
N1(c2ccc(cc2)c2ccccc2)C(=O)C=CC1=O
Canonical SMILES:
O=C1C=CC(=O)N1c1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C16H11NO2/c18-15-10-11-16(19)17(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H
InChIKey:
RXWKCYQPTDVVSI-UHFFFAOYSA-N

Cite this record

CBID:91519 http://www.chembase.cn/molecule-91519.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-phenylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
IUPAC Traditional name
1-(4-phenylphenyl)pyrrole-2,5-dione
Synonyms
1-(Biphenyl)-1H-pyrrole-2,5-dione
MDL Number
MFCD00437106
PubChem SID
162078218
PubChem CID
42797

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 42797 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.892956  LogD (pH = 7.4) 2.892957 
Log P 2.892957  Molar Refractivity 73.1619 cm3
Polarizability 28.96544 Å3 Polar Surface Area 37.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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