1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one

C30H18F2N2O2 — CID 163883531

IUPAC1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESO=C1N=C(c2ccc(-c3ccc(F)cc3)cc2)c2c(O)[nH]c(-c3ccc(-c4ccc(F)cc4)cc3)c21
InChIInChI=1S/C30H18F2N2O2/c31-23-13-9-19(10-14-23)17-1-5-21(6-2-17)27-25-26(30(36)33-27)28(34-29(25)35)22-7-3-18(4-8-22)20-11-15-24(32)16-12-20/h1-16,33,36H
InChIKeyLIUKPPBXPXQGTA-UHFFFAOYSA-N
MW476.48 g/mol
LogP6.99
Rot. Bonds4

About 1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one

1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one (PubChem CID 163883531) has the molecular formula C30H18F2N2O2 and a molecular weight of 476.48 g/mol. Its IUPAC name is 1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one.

Molecular Properties

Compound Name1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
PubChem CID163883531
Molecular FormulaC30H18F2N2O2
Molecular Weight476.48 g/mol
Exact Mass476.13
IUPAC Name1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESO=C1N=C(c2ccc(-c3ccc(F)cc3)cc2)c2c(O)[nH]c(-c3ccc(-c4ccc(F)cc4)cc3)c21
InChIInChI=1S/C30H18F2N2O2/c31-23-13-9-19(10-14-23)17-1-5-21(6-2-17)27-25-26(30(36)33-27)28(34-29(25)35)22-7-3-18(4-8-22)20-11-15-24(32)16-12-20/h1-16,33,36H
InChIKeyLIUKPPBXPXQGTA-UHFFFAOYSA-N
XLogP6.99
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.48
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 155119154
3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine
CID 159771028
1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 136623416
3-hydroxy-4-(4-hydroxyphenyl)-1-(4-octoxyphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 137045527
2-chloro-5-[4-(4-chlorophenyl)-3-hydroxy-6-oxo-2H-pyrrolo[3,4-c]pyrrol-1-yl]benzenesulfonic acid
CID 136683471
1-(4-chlorophenyl)-3-hydroxy-4-(1λ3-iodacyclohexa-2,4,6-trien-3-yl)-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 163526861
N-[3-(diethylamino)propyl]-4-[4-[4-[4-[4-[3-(diethylamino)propylsulfamoyl]phenyl]phenyl]-3-hydroxy-6-oxo-2H-pyrrolo[3,4-c]pyrrol-1-yl]phenyl]benzenesulfonamide
CID 145370090
calcium;3-hydroxy-1,4-bis(4-phenylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;methanesulfonate;1-methylsulfonylaziridine-2-carboxylate
CID 159971118
1,4-bis(4-chlorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-phenylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-[3-hydroxy-1-(3-isocyanophenyl)-6-oxo-2H-pyrrolo[3,4-c]pyrrol-4-yl]benzonitrile
CID 158822451
4-[4-(4-chlorophenyl)-3-hydroxy-6-oxo-2H-pyrrolo[3,4-c]pyrrol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 135984949
4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 136734581
1,4-bis[5-(1,5-dimethylpyrrol-2-yl)-1-methylpyrrol-2-yl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;1,4-bis[5-(1,5-dimethylpyrrol-2-yl)-1-methylpyrrol-2-yl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 136650940

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one?
The IUPAC name of 1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one (CID 163883531) is 1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one.
What is the SMILES notation for 1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one?
The canonical SMILES for 1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one is O=C1N=C(c2ccc(-c3ccc(F)cc3)cc2)c2c(O)[nH]c(-c3ccc(-c4ccc(F)cc4)cc3)c21.
What is the InChIKey of 1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one?
The InChIKey is LIUKPPBXPXQGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F2N2O2/c31-23-13-9-19(10-14-23)17-1-5-21(6-2-17)27-25-26(30(36)33-27)28(34-29(25)35)22-7-3-18(4-8-22)20-11-15-24(32)16-12-20/h1-16,33,36H.
What are the key properties of 1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one?
1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one has a molecular weight of 476.48 g/mol, XLogP of 6.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one is sourced from PubChem (CID 163883531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).