2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H25NO4 — CID 18810811

About 2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810811) has the molecular formula C32H25NO4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18810811
• Molecular Formula: C32H25NO4
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.18
• IUPAC Name: 2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(Oc2ccccc2)c1)N(Cc1ccccc1)C3=O
• InChI: InChI=1S/C32H25NO4/c1-20-16-26-27(17-21(20)2)37-31-28(30(26)34)29(33(32(31)35)19-22-10-5-3-6-11-22)23-12-9-15-25(18-23)36-24-13-7-4-8-14-24/h3-18,29H,19H2,1-2H3
• InChIKey: LBLIHQCLISXFMY-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810811) is 2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(Oc2ccccc2)c1)N(Cc1ccccc1)C3=O.

What is the InChIKey of 2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is LBLIHQCLISXFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO4/c1-20-16-26-27(17-21(20)2)37-31-28(30(26)34)29(33(32(31)35)19-22-10-5-3-6-11-22)23-12-9-15-25(18-23)36-24-13-7-4-8-14-24/h3-18,29H,19H2,1-2H3.

What are the key properties of 2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 487.56 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).