2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione

C18H10Cl2N2O2 — CID 70255870

IUPAC2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESO=C1C2=CN(c3ccc(Cl)cc3)C(=O)C2=CN1c1ccc(Cl)cc1
InChIInChI=1S/C18H10Cl2N2O2/c19-11-1-5-13(6-2-11)21-9-15-16(17(21)23)10-22(18(15)24)14-7-3-12(20)4-8-14/h1-10H
InChIKeyQUXCQUHPKGYKKJ-UHFFFAOYSA-N
MW357.20 g/mol
LogP4.15
Rot. Bonds2

About 2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione

2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione (PubChem CID 70255870) has the molecular formula C18H10Cl2N2O2 and a molecular weight of 357.20 g/mol. Its IUPAC name is 2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione.

Molecular Properties

Compound Name2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
PubChem CID70255870
Molecular FormulaC18H10Cl2N2O2
Molecular Weight357.20 g/mol
Exact Mass356.01
IUPAC Name2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESO=C1C2=CN(c3ccc(Cl)cc3)C(=O)C2=CN1c1ccc(Cl)cc1
InChIInChI=1S/C18H10Cl2N2O2/c19-11-1-5-13(6-2-11)21-9-15-16(17(21)23)10-22(18(15)24)14-7-3-12(20)4-8-14/h1-10H
InChIKeyQUXCQUHPKGYKKJ-UHFFFAOYSA-N
XLogP4.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The IUPAC name of 2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione (CID 70255870) is 2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione.
What is the SMILES notation for 2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The canonical SMILES for 2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione is O=C1C2=CN(c3ccc(Cl)cc3)C(=O)C2=CN1c1ccc(Cl)cc1.
What is the InChIKey of 2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The InChIKey is QUXCQUHPKGYKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2O2/c19-11-1-5-13(6-2-11)21-9-15-16(17(21)23)10-22(18(15)24)14-7-3-12(20)4-8-14/h1-10H.
What are the key properties of 2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione has a molecular weight of 357.20 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-3,6-dione is sourced from PubChem (CID 70255870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).