1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

C23H17N3O2 — CID 2900872

IUPAC1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
SMILESO=C1C2C(c3ccccc3)=NN(c3ccccc3)C2C(=O)N1c1ccccc1
InChIInChI=1S/C23H17N3O2/c27-22-19-20(16-10-4-1-5-11-16)24-26(18-14-8-3-9-15-18)21(19)23(28)25(22)17-12-6-2-7-13-17/h1-15,19,21H
InChIKeyMHBMGMSLBVUTMO-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.47
Rot. Bonds3

About 1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione (PubChem CID 2900872) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione.

Molecular Properties

Compound Name1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
PubChem CID2900872
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
SMILESO=C1C2C(c3ccccc3)=NN(c3ccccc3)C2C(=O)N1c1ccccc1
InChIInChI=1S/C23H17N3O2/c27-22-19-20(16-10-4-1-5-11-16)24-26(18-14-8-3-9-15-18)21(19)23(28)25(22)17-12-6-2-7-13-17/h1-15,19,21H
InChIKeyMHBMGMSLBVUTMO-UHFFFAOYSA-N
XLogP3.47
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione?
The IUPAC name of 1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione (CID 2900872) is 1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione.
What is the SMILES notation for 1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione?
The canonical SMILES for 1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione is O=C1C2C(c3ccccc3)=NN(c3ccccc3)C2C(=O)N1c1ccccc1.
What is the InChIKey of 1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione?
The InChIKey is MHBMGMSLBVUTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-22-19-20(16-10-4-1-5-11-16)24-26(18-14-8-3-9-15-18)21(19)23(28)25(22)17-12-6-2-7-13-17/h1-15,19,21H.
What are the key properties of 1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione?
1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione has a molecular weight of 367.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione is sourced from PubChem (CID 2900872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).