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

C77H60N4O11Si2 — CID 140843908

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

5-[[2-[4-[4-[5-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione (PubChem CID 140843908) has the molecular formula C77H60N4O11Si2 and a molecular weight of 1273.52 g/mol. Its IUPAC name is 5-[[2-[4-[4-[5-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-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-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione
• PubChem CID: 140843908
• Molecular Formula: C77H60N4O11Si2
• Molecular Weight: 1273.52 g/mol
• Exact Mass: 1272.38
• IUPAC Name: 5-[[2-[4-[4-[5-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione
• SMILES: Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N5C(=O)c6ccc([Si](C)(C)c7ccc8c(c7)C(=O)N(c7ccc(Oc9ccc(N%10C(=O)c%11ccc([Si](C)(C)c%12ccc%13c(c%12)C(=O)N(C)C%13=O)cc%11C%10=O)cc9)cc7)C8=O)cc6C5=O)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C77H60N4O11Si2/c1-45-9-21-51(22-10-45)90-52-23-11-46(12-24-52)77(2,3)47-13-25-53(26-14-47)91-54-27-15-48(16-28-54)79-72(85)63-39-35-59(43-67(63)75(79)88)94(7,8)60-36-40-64-68(44-60)76(89)81(73(64)86)50-19-31-56(32-20-50)92-55-29-17-49(18-30-55)80-71(84)62-38-34-58(42-66(62)74(80)87)93(5,6)57-33-37-61-65(41-57)70(83)78(4)69(61)82/h9-44H,1-8H3
• InChIKey: WTGOMEBBCPHBBY-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 177.21 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1273.52
LogP ≤ 5	12.97
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-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-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-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione (CID 140843908) is 5-[[2-[4-[4-[5-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-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-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-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-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione is Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N5C(=O)c6ccc([Si](C)(C)c7ccc8c(c7)C(=O)N(c7ccc(Oc9ccc(N%10C(=O)c%11ccc([Si](C)(C)c%12ccc%13c(c%12)C(=O)N(C)C%13=O)cc%11C%10=O)cc9)cc7)C8=O)cc6C5=O)cc4)cc3)cc2)cc1.

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

The InChIKey is WTGOMEBBCPHBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H60N4O11Si2/c1-45-9-21-51(22-10-45)90-52-23-11-46(12-24-52)77(2,3)47-13-25-53(26-14-47)91-54-27-15-48(16-28-54)79-72(85)63-39-35-59(43-67(63)75(79)88)94(7,8)60-36-40-64-68(44-60)76(89)81(73(64)86)50-19-31-56(32-20-50)92-55-29-17-49(18-30-55)80-71(84)62-38-34-58(42-66(62)74(80)87)93(5,6)57-33-37-61-65(41-57)70(83)78(4)69(61)82/h9-44H,1-8H3.

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

5-[[2-[4-[4-[5-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione has a molecular weight of 1273.52 g/mol, XLogP of 12.97, 15 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-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 140843908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).