5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione

C64H52N4O11Si3 — CID 140843906

About 5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione

5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione (PubChem CID 140843906) has the molecular formula C64H52N4O11Si3 and a molecular weight of 1137.39 g/mol. Its IUPAC name is 5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione
• PubChem CID: 140843906
• Molecular Formula: C64H52N4O11Si3
• Molecular Weight: 1137.39 g/mol
• Exact Mass: 1136.29
• IUPAC Name: 5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione
• SMILES: Cc1ccc(O[Si](C)(C)Oc2ccc(N3C(=O)c4ccc([Si](C)(C)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc([Si](C)(C)c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc5)C6=O)cc4C3=O)cc2)cc1
• InChI: InChI=1S/C64H52N4O11Si3/c1-37-9-17-43(18-10-37)78-82(7,8)79-44-23-15-40(16-24-44)68-61(73)52-32-28-48(36-56(52)64(68)76)81(5,6)47-27-31-51-55(35-47)63(75)67(60(51)72)39-13-21-42(22-14-39)77-41-19-11-38(12-20-41)66-59(71)50-30-26-46(34-54(50)62(66)74)80(3,4)45-25-29-49-53(33-45)58(70)65(2)57(49)69/h9-36H,1-8H3
• InChIKey: MKALZWIZXBFXGS-UHFFFAOYSA-N
• XLogP: 9.22
• TPSA: 177.21 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.39
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione?

The IUPAC name of 5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione (CID 140843906) is 5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione.

What is the SMILES notation for 5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione?

The canonical SMILES for 5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione is Cc1ccc(O[Si](C)(C)Oc2ccc(N3C(=O)c4ccc([Si](C)(C)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc([Si](C)(C)c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc5)C6=O)cc4C3=O)cc2)cc1.

What is the InChIKey of 5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione?

The InChIKey is MKALZWIZXBFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N4O11Si3/c1-37-9-17-43(18-10-37)78-82(7,8)79-44-23-15-40(16-24-44)68-61(73)52-32-28-48(36-56(52)64(68)76)81(5,6)47-27-31-51-55(35-47)63(75)67(60(51)72)39-13-21-42(22-14-39)77-41-19-11-38(12-20-41)66-59(71)50-30-26-46(34-54(50)62(66)74)80(3,4)45-25-29-49-53(33-45)58(70)65(2)57(49)69/h9-36H,1-8H3.

What are the key properties of 5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione?

5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione has a molecular weight of 1137.39 g/mol, XLogP of 9.22, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[4-[4-[5-[[2-[4-[dimethyl-(4-methylphenoxy)silyl]oxyphenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 140843906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).