4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one

C25H18N2O2 — CID 136734581

IUPAC4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESO=C1N=C(C(c2ccccc2)c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21
InChIInChI=1S/C25H18N2O2/c28-24-20-21(25(29)26-22(20)18-14-8-3-9-15-18)23(27-24)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19,26,29H
InChIKeyDCNVVCCBCCQJNX-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.16
Rot. Bonds4

About 4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one

4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one (PubChem CID 136734581) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one.

Molecular Properties

Compound Name4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one
PubChem CID136734581
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESO=C1N=C(C(c2ccccc2)c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21
InChIInChI=1S/C25H18N2O2/c28-24-20-21(25(29)26-22(20)18-14-8-3-9-15-18)23(27-24)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19,26,29H
InChIKeyDCNVVCCBCCQJNX-UHFFFAOYSA-N
XLogP5.16
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[4-(4-fluorophenyl)phenyl]-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 163883531
1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 136623416
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-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 155119154
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
N-[[4-[3-hydroxy-6-oxo-1-(4-phenylphenyl)-2H-pyrrolo[3,4-c]pyrrol-4-yl]phenyl]methyl]-2-(3-piperidin-1-ylpropylamino)acetamide
CID 135984990
5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 2836478
3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile
CID 136734593
2-chloro-5-[4-(4-chlorophenyl)-3-hydroxy-6-oxo-2H-pyrrolo[3,4-c]pyrrol-1-yl]benzenesulfonic acid
CID 136683471
4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one
CID 54683716
2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione
CID 171393922

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one?
The IUPAC name of 4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one (CID 136734581) is 4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one.
What is the SMILES notation for 4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one?
The canonical SMILES for 4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one is O=C1N=C(C(c2ccccc2)c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.
What is the InChIKey of 4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one?
The InChIKey is DCNVVCCBCCQJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c28-24-20-21(25(29)26-22(20)18-14-8-3-9-15-18)23(27-24)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19,26,29H.
What are the key properties of 4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one?
4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one has a molecular weight of 378.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one is sourced from PubChem (CID 136734581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).