2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H24BrNO4 — CID 18856752

IUPAC2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(OCc2ccccc2)cc1)N(c1cccc(Br)c1)C3=O
InChIInChI=1S/C32H24BrNO4/c1-19-15-26-27(16-20(19)2)38-31-28(30(26)35)29(34(32(31)36)24-10-6-9-23(33)17-24)22-11-13-25(14-12-22)37-18-21-7-4-3-5-8-21/h3-17,29H,18H2,1-2H3
InChIKeyXDLLTVGLGFRZDT-UHFFFAOYSA-N
MW566.45 g/mol
LogP7.50
Rot. Bonds5

About 2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856752) has the molecular formula C32H24BrNO4 and a molecular weight of 566.45 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856752
Molecular FormulaC32H24BrNO4
Molecular Weight566.45 g/mol
Exact Mass565.09
IUPAC Name2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(OCc2ccccc2)cc1)N(c1cccc(Br)c1)C3=O
InChIInChI=1S/C32H24BrNO4/c1-19-15-26-27(16-20(19)2)38-31-28(30(26)35)29(34(32(31)36)24-10-6-9-23(33)17-24)22-11-13-25(14-12-22)37-18-21-7-4-3-5-8-21/h3-17,29H,18H2,1-2H3
InChIKeyXDLLTVGLGFRZDT-UHFFFAOYSA-N
XLogP7.50
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.45
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708830
7-bromo-2-(4-bromophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854734
2-(3-bromophenyl)-1-(4-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856429
6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856685
2-(3-bromophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857802
6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857011
2-phenyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852380
2-(3-chlorophenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856512
1-(4-bromophenyl)-2-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856460
1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856398
2-(3-bromophenyl)-7-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855805
2-(3-methoxyphenyl)-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856702

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856752) is 2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(OCc2ccccc2)cc1)N(c1cccc(Br)c1)C3=O.
What is the InChIKey of 2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XDLLTVGLGFRZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24BrNO4/c1-19-15-26-27(16-20(19)2)38-31-28(30(26)35)29(34(32(31)36)24-10-6-9-23(33)17-24)22-11-13-25(14-12-22)37-18-21-7-4-3-5-8-21/h3-17,29H,18H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 566.45 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).