2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

C90H68N4O16S2 — CID 165029899

About 2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione (PubChem CID 165029899) has the molecular formula C90H68N4O16S2 and a molecular weight of 1525.68 g/mol. Its IUPAC name is 2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
• PubChem CID: 165029899
• Molecular Formula: C90H68N4O16S2
• Molecular Weight: 1525.68 g/mol
• Exact Mass: 1524.41
• IUPAC Name: 2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
• SMILES: Cc1ccc(S(=O)(=O)c2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(C)C8=O)cc6)cc5)cc4C3=O)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(N3C(=O)c4cccc(Oc5ccc(C(C)(C)c6ccc(Oc7cccc8c7C(=O)N(C)C8=O)cc6)cc5)c4C3=O)cc2)cc1
• InChI: InChI=1S/2C45H34N2O8S/c1-27-5-19-35(20-6-27)56(52,53)36-21-11-30(12-22-36)47-43(50)38-24-18-34(26-40(38)44(47)51)55-32-15-9-29(10-16-32)45(2,3)28-7-13-31(14-8-28)54-33-17-23-37-39(25-33)42(49)46(4)41(37)48;1-27-11-23-33(24-12-27)56(52,53)34-25-17-30(18-26-34)47-42(49)36-8-6-10-38(40(36)44(47)51)55-32-21-15-29(16-22-32)45(2,3)28-13-19-31(20-14-28)54-37-9-5-7-35-39(37)43(50)46(4)41(35)48/h2*5-26H,1-4H3
• InChIKey: MMJINNIFZXGAEO-UHFFFAOYSA-N
• XLogP: 17.53
• TPSA: 254.72 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1525.68
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

The IUPAC name of 2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione (CID 165029899) is 2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

The canonical SMILES for 2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione is Cc1ccc(S(=O)(=O)c2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(C)C8=O)cc6)cc5)cc4C3=O)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(N3C(=O)c4cccc(Oc5ccc(C(C)(C)c6ccc(Oc7cccc8c7C(=O)N(C)C8=O)cc6)cc5)c4C3=O)cc2)cc1.

What is the InChIKey of 2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

The InChIKey is MMJINNIFZXGAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H34N2O8S/c1-27-5-19-35(20-6-27)56(52,53)36-21-11-30(12-22-36)47-43(50)38-24-18-34(26-40(38)44(47)51)55-32-15-9-29(10-16-32)45(2,3)28-7-13-31(14-8-28)54-33-17-23-37-39(25-33)42(49)46(4)41(37)48;1-27-11-23-33(24-12-27)56(52,53)34-25-17-30(18-26-34)47-42(49)36-8-6-10-38(40(36)44(47)51)55-32-21-15-29(16-22-32)45(2,3)28-13-19-31(20-14-28)54-37-9-5-7-35-39(37)43(50)46(4)41(35)48/h2*5-26H,1-4H3.

What are the key properties of 2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione has a molecular weight of 1525.68 g/mol, XLogP of 17.53, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-4-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenyl)sulfonylphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 165029899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).