2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H20BrNO3 — CID 18852849

IUPAC2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C26H20BrNO3/c1-15(2)16-7-9-17(10-8-16)23-22-24(29)20-5-3-4-6-21(20)31-25(22)26(30)28(23)19-13-11-18(27)12-14-19/h3-15,23H,1-2H3
InChIKeyPQDYVHGLXOSLMX-UHFFFAOYSA-N
MW474.35 g/mol
LogP6.43
Rot. Bonds3

About 2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852849) has the molecular formula C26H20BrNO3 and a molecular weight of 474.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852849
Molecular FormulaC26H20BrNO3
Molecular Weight474.35 g/mol
Exact Mass473.06
IUPAC Name2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C26H20BrNO3/c1-15(2)16-7-9-17(10-8-16)23-22-24(29)20-5-3-4-6-21(20)31-25(22)26(30)28(23)19-13-11-18(27)12-14-19/h3-15,23H,1-2H3
InChIKeyPQDYVHGLXOSLMX-UHFFFAOYSA-N
XLogP6.43
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.35
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18851964
2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852186
2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852861
2-(4-bromophenyl)-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852544
1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3295716
1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18851992
2-ethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3419469
2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5238749
7-bromo-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855205
2-(4-fluorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858211
1-(4-fluorophenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852061
2-(4-bromophenyl)-6,7-dimethyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856316

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852849) is 2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PQDYVHGLXOSLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrNO3/c1-15(2)16-7-9-17(10-8-16)23-22-24(29)20-5-3-4-6-21(20)31-25(22)26(30)28(23)19-13-11-18(27)12-14-19/h3-15,23H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 474.35 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).