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

C27H22BrNO3 — CID 18852186

IUPAC2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)(C)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C27H22BrNO3/c1-27(2,3)17-10-8-16(9-11-17)23-22-24(30)20-6-4-5-7-21(20)32-25(22)26(31)29(23)19-14-12-18(28)13-15-19/h4-15,23H,1-3H3
InChIKeyZQKWUBWXPRKMMZ-UHFFFAOYSA-N
MW488.38 g/mol
LogP6.60
Rot. Bonds2

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

2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852186) has the molecular formula C27H22BrNO3 and a molecular weight of 488.38 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852186
Molecular FormulaC27H22BrNO3
Molecular Weight488.38 g/mol
Exact Mass487.08
IUPAC Name2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)(C)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C27H22BrNO3/c1-27(2,3)17-10-8-16(9-11-17)23-22-24(30)20-6-4-5-7-21(20)32-25(22)26(31)29(23)19-14-12-18(28)13-15-19/h4-15,23H,1-3H3
InChIKeyZQKWUBWXPRKMMZ-UHFFFAOYSA-N
XLogP6.60
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.38
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854536
2-(4-bromophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18851964
2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852849
1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852187
2-(4-bromophenyl)-1-(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852544
1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18851992
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
1-(4-tert-butylphenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856542
(1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40871956
2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852125
1-(4-tert-butylphenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857552

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852186) is 2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)(C)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZQKWUBWXPRKMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BrNO3/c1-27(2,3)17-10-8-16(9-11-17)23-22-24(30)20-6-4-5-7-21(20)32-25(22)26(31)29(23)19-14-12-18(28)13-15-19/h4-15,23H,1-3H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 488.38 g/mol, XLogP of 6.60, 2 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-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).