1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione

C23H16BrNO3 — CID 23968819

IUPAC1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
SMILESO=C1CC2(c3ccccc3)C(=O)c3ccccc3C2(O)N1c1ccc(Br)cc1
InChIInChI=1S/C23H16BrNO3/c24-16-10-12-17(13-11-16)25-20(26)14-22(15-6-2-1-3-7-15)21(27)18-8-4-5-9-19(18)23(22,25)28/h1-13,28H,14H2
InChIKeyQHFLEIWWYODTPQ-UHFFFAOYSA-N
MW434.29 g/mol
LogP4.17
Rot. Bonds2

About 1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione

1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione (PubChem CID 23968819) has the molecular formula C23H16BrNO3 and a molecular weight of 434.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
PubChem CID23968819
Molecular FormulaC23H16BrNO3
Molecular Weight434.29 g/mol
Exact Mass433.03
IUPAC Name1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
SMILESO=C1CC2(c3ccccc3)C(=O)c3ccccc3C2(O)N1c1ccc(Br)cc1
InChIInChI=1S/C23H16BrNO3/c24-16-10-12-17(13-11-16)25-20(26)14-22(15-6-2-1-3-7-15)21(27)18-8-4-5-9-19(18)23(22,25)28/h1-13,28H,14H2
InChIKeyQHFLEIWWYODTPQ-UHFFFAOYSA-N
XLogP4.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione?
The IUPAC name of 1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione (CID 23968819) is 1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione.
What is the SMILES notation for 1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione?
The canonical SMILES for 1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione is O=C1CC2(c3ccccc3)C(=O)c3ccccc3C2(O)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione?
The InChIKey is QHFLEIWWYODTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrNO3/c24-16-10-12-17(13-11-16)25-20(26)14-22(15-6-2-1-3-7-15)21(27)18-8-4-5-9-19(18)23(22,25)28/h1-13,28H,14H2.
What are the key properties of 1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione?
1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione has a molecular weight of 434.29 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione is sourced from PubChem (CID 23968819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).