5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione

C147H142N8O19 — CID 157079731

About 5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione

5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione (PubChem CID 157079731) has the molecular formula C147H142N8O19 and a molecular weight of 2324.79 g/mol. Its IUPAC name is 5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione
• PubChem CID: 157079731
• Molecular Formula: C147H142N8O19
• Molecular Weight: 2324.79 g/mol
• Exact Mass: 2323.04
• IUPAC Name: 5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione
• SMILES: C=C(C)c1cccc(C(C)(C)N2C(=O)CC(C3C=C(C)C4C(=O)N(CN5C(=O)C6CC(C7CC(=O)N(C(C)(C)c8cccc(C(=C)C)c8)C7=O)C=C(C)C6C5=O)C(=O)C4C3)C2=O)c1.C=C(C)c1cccc(C(C)(C)N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C(C)(C)c4cccc(C(=C)C)c4)C5=O)cc3C2=O)c1.C=C(C)c1cccc(C(C)(C)N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(C(C)(C)c6cccc(C(=C)C)c6)C7=O)cc5)cc4)cc3C2=O)c1
• InChI: InChI=1S/C55H50N2O6.C51H56N4O8.C41H36N2O5/c1-33(2)35-13-11-15-39(29-35)54(7,8)56-49(58)45-27-25-43(31-47(45)51(56)60)62-41-21-17-37(18-22-41)53(5,6)38-19-23-42(24-20-38)63-44-26-28-46-48(32-44)52(61)57(50(46)59)55(9,10)40-16-12-14-36(30-40)34(3)4;1-26(2)30-13-11-15-34(19-30)50(7,8)54-40(56)23-36(46(54)60)32-17-28(5)42-38(21-32)44(58)52(48(42)62)25-53-45(59)39-22-33(18-29(6)43(39)49(53)63)37-24-41(57)55(47(37)61)51(9,10)35-16-12-14-31(20-35)27(3)4;1-23(2)25-11-9-13-29(19-25)40(5,6)42-36(45)31-17-15-27(21-33(31)38(42)47)35(44)28-16-18-32-34(22-28)39(48)43(37(32)46)41(7,8)30-14-10-12-26(20-30)24(3)4/h11-32H,1,3H2,2,4-10H3;11-20,32-33,36-39,42-43H,1,3,21-25H2,2,4-10H3;9-22H,1,3H2,2,4-8H3
• InChIKey: ADJVGIQLLUFXEH-UHFFFAOYSA-N
• XLogP: 27.54
• TPSA: 334.57 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 30
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2324.79
LogP ≤ 5	27.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione?

The IUPAC name of 5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione (CID 157079731) is 5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione.

What is the SMILES notation for 5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione?

The canonical SMILES for 5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione is C=C(C)c1cccc(C(C)(C)N2C(=O)CC(C3C=C(C)C4C(=O)N(CN5C(=O)C6CC(C7CC(=O)N(C(C)(C)c8cccc(C(=C)C)c8)C7=O)C=C(C)C6C5=O)C(=O)C4C3)C2=O)c1.C=C(C)c1cccc(C(C)(C)N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C(C)(C)c4cccc(C(=C)C)c4)C5=O)cc3C2=O)c1.C=C(C)c1cccc(C(C)(C)N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(C(C)(C)c6cccc(C(=C)C)c6)C7=O)cc5)cc4)cc3C2=O)c1.

What is the InChIKey of 5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione?

The InChIKey is ADJVGIQLLUFXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H50N2O6.C51H56N4O8.C41H36N2O5/c1-33(2)35-13-11-15-39(29-35)54(7,8)56-49(58)45-27-25-43(31-47(45)51(56)60)62-41-21-17-37(18-22-41)53(5,6)38-19-23-42(24-20-38)63-44-26-28-46-48(32-44)52(61)57(50(46)59)55(9,10)40-16-12-14-36(30-40)34(3)4;1-26(2)30-13-11-15-34(19-30)50(7,8)54-40(56)23-36(46(54)60)32-17-28(5)42-38(21-32)44(58)52(48(42)62)25-53-45(59)39-22-33(18-29(6)43(39)49(53)63)37-24-41(57)55(47(37)61)51(9,10)35-16-12-14-31(20-35)27(3)4;1-23(2)25-11-9-13-29(19-25)40(5,6)42-36(45)31-17-15-27(21-33(31)38(42)47)35(44)28-16-18-32-34(22-28)39(48)43(37(32)46)41(7,8)30-14-10-12-26(20-30)24(3)4/h11-32H,1,3H2,2,4-10H3;11-20,32-33,36-39,42-43H,1,3,21-25H2,2,4-10H3;9-22H,1,3H2,2,4-8H3.

What are the key properties of 5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione?

5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione has a molecular weight of 2324.79 g/mol, XLogP of 27.54, 30 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-5-carbonyl]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[4-[2-[4-[1,3-dioxo-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]isoindole-1,3-dione;5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-2-[[5-[2,5-dioxo-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidin-3-yl]-7-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl]methyl]-7-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 157079731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).