1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H27NO3 — CID 18880999

About 1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18880999) has the molecular formula C29H27NO3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18880999
• Molecular Formula: C29H27NO3
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.20
• IUPAC Name: 1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1
• InChI: InChI=1S/C29H27NO3/c1-5-20-10-12-22(13-11-20)25-24-26(31)23-15-18(3)14-19(4)27(23)33-28(24)29(32)30(25)16-21-8-6-17(2)7-9-21/h6-15,25H,5,16H2,1-4H3
• InChIKey: AZWHTVMJTJYXNB-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18880999) is 1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1.

What is the InChIKey of 1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is AZWHTVMJTJYXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO3/c1-5-20-10-12-22(13-11-20)25-24-26(31)23-15-18(3)14-19(4)27(23)33-28(24)29(32)30(25)16-21-8-6-17(2)7-9-21/h6-15,25H,5,16H2,1-4H3.

What are the key properties of 1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 437.54 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-ethylphenyl)-5,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18880999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).