1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione

C86H63N9O18 — CID 159340725

About 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione

1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione (PubChem CID 159340725) has the molecular formula C86H63N9O18 and a molecular weight of 1510.49 g/mol. Its IUPAC name is 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione.

Molecular Properties

• Compound Name: 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione
• PubChem CID: 159340725
• Molecular Formula: C86H63N9O18
• Molecular Weight: 1510.49 g/mol
• Exact Mass: 1509.43
• IUPAC Name: 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione
• SMILES: CCc1cc(Cc2cc(C)c(N3C(=O)C=CC3=O)c(CC)c2)cc(C)c1N1C(=O)C=CC1=O.O=C1C=CC(=O)N1c1ccc(Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1.O=C1C=CC(=O)N1c1ccc(N2C(=O)C=CC2=O)cc1.O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1.O=C1C=CC(=O)N1c1ccccc1
• InChI: InChI=1S/C27H26N2O4.C21H14N2O4.2C14H8N2O4.C10H7NO2/c1-5-20-14-18(11-16(3)26(20)28-22(30)7-8-23(28)31)13-19-12-17(4)27(21(6-2)15-19)29-24(32)9-10-25(29)33;24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27;17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20;17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h7-12,14-15H,5-6,13H2,1-4H3;1-12H,13H2;2*1-8H;1-7H
• InChIKey: LGCJDPQXYRRUND-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 336.42 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1510.49
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione?

The IUPAC name of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione (CID 159340725) is 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione.

What is the SMILES notation for 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione?

The canonical SMILES for 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione is CCc1cc(Cc2cc(C)c(N3C(=O)C=CC3=O)c(CC)c2)cc(C)c1N1C(=O)C=CC1=O.O=C1C=CC(=O)N1c1ccc(Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1.O=C1C=CC(=O)N1c1ccc(N2C(=O)C=CC2=O)cc1.O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1.O=C1C=CC(=O)N1c1ccccc1.

What is the InChIKey of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione?

The InChIKey is LGCJDPQXYRRUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4.C21H14N2O4.2C14H8N2O4.C10H7NO2/c1-5-20-14-18(11-16(3)26(20)28-22(30)7-8-23(28)31)13-19-12-17(4)27(21(6-2)15-19)29-24(32)9-10-25(29)33;24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27;17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20;17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h7-12,14-15H,5-6,13H2,1-4H3;1-12H,13H2;2*1-8H;1-7H.

What are the key properties of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione?

1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione has a molecular weight of 1510.49 g/mol, XLogP of 8.22, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 159340725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).