1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H22BrNO3 — CID 18890683

About 1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890683) has the molecular formula C27H22BrNO3 and a molecular weight of 488.38 g/mol. Its IUPAC name is 1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18890683
• Molecular Formula: C27H22BrNO3
• Molecular Weight: 488.38 g/mol
• Exact Mass: 487.08
• IUPAC Name: 1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc(CN2C(=O)c3oc4cc(C)cc(C)c4c(=O)c3C2c2ccc(Br)cc2)cc1
• InChI: InChI=1S/C27H22BrNO3/c1-15-4-6-18(7-5-15)14-29-24(19-8-10-20(28)11-9-19)23-25(30)22-17(3)12-16(2)13-21(22)32-26(23)27(29)31/h4-13,24H,14H2,1-3H3
• InChIKey: HDFOCIGIUBMPPB-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.38
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890683) is 1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(CN2C(=O)c3oc4cc(C)cc(C)c4c(=O)c3C2c2ccc(Br)cc2)cc1.

What is the InChIKey of 1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is HDFOCIGIUBMPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BrNO3/c1-15-4-6-18(7-5-15)14-29-24(19-8-10-20(28)11-9-19)23-25(30)22-17(3)12-16(2)13-21(22)32-26(23)27(29)31/h4-13,24H,14H2,1-3H3.

What are the key properties of 1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 488.38 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).