5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione

C119H94N8O19S2 — CID 158514386

About 5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione

5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione (PubChem CID 158514386) has the molecular formula C119H94N8O19S2 and a molecular weight of 2004.23 g/mol. Its IUPAC name is 5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione
• PubChem CID: 158514386
• Molecular Formula: C119H94N8O19S2
• Molecular Weight: 2004.23 g/mol
• Exact Mass: 2002.61
• IUPAC Name: 5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione
• SMILES: CCCN1C(=O)c2ccc(-c3ccc(Oc4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O.CCCN1C(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O.CCCN1C(=O)c2ccc(-c3ccc(Sc4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O.CCCN1C(=O)c2ccc(CCCc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
• InChI: InChI=1S/C32H24N2O6S.C32H24N2O5.C32H24N2O4S.C23H22N2O4/c1-3-16-34-31(37)26-15-9-22(18-28(26)32(34)38)20-6-12-24(13-7-20)41(39,40)23-10-4-19(5-11-23)21-8-14-25-27(17-21)30(36)33(2)29(25)35;2*1-3-16-34-31(37)26-15-9-22(18-28(26)32(34)38)20-6-12-24(13-7-20)39-23-10-4-19(5-11-23)21-8-14-25-27(17-21)30(36)33(2)29(25)35;1-3-11-25-22(28)17-10-8-15(13-19(17)23(25)29)6-4-5-14-7-9-16-18(12-14)21(27)24(2)20(16)26/h4-15,17-18H,3,16H2,1-2H3;2*4-15,17-18H,3,16H2,1-2H3;7-10,12-13H,3-6,11H2,1-2H3
• InChIKey: HLLIVFUCTIUNRY-UHFFFAOYSA-N
• XLogP: 20.63
• TPSA: 342.41 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2004.23
LogP ≤ 5	20.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione?

The IUPAC name of 5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione (CID 158514386) is 5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione.

What is the SMILES notation for 5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione?

The canonical SMILES for 5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione is CCCN1C(=O)c2ccc(-c3ccc(Oc4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O.CCCN1C(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O.CCCN1C(=O)c2ccc(-c3ccc(Sc4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O.CCCN1C(=O)c2ccc(CCCc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.

What is the InChIKey of 5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione?

The InChIKey is HLLIVFUCTIUNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O6S.C32H24N2O5.C32H24N2O4S.C23H22N2O4/c1-3-16-34-31(37)26-15-9-22(18-28(26)32(34)38)20-6-12-24(13-7-20)41(39,40)23-10-4-19(5-11-23)21-8-14-25-27(17-21)30(36)33(2)29(25)35;2*1-3-16-34-31(37)26-15-9-22(18-28(26)32(34)38)20-6-12-24(13-7-20)39-23-10-4-19(5-11-23)21-8-14-25-27(17-21)30(36)33(2)29(25)35;1-3-11-25-22(28)17-10-8-15(13-19(17)23(25)29)6-4-5-14-7-9-16-18(12-14)21(27)24(2)20(16)26/h4-15,17-18H,3,16H2,1-2H3;2*4-15,17-18H,3,16H2,1-2H3;7-10,12-13H,3-6,11H2,1-2H3.

What are the key properties of 5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione?

5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione has a molecular weight of 2004.23 g/mol, XLogP of 20.63, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 158514386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).