4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid

C70H38N4O18S — CID 102373054

About 4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid

4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid (PubChem CID 102373054) has the molecular formula C70H38N4O18S and a molecular weight of 1255.15 g/mol. Its IUPAC name is 4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid.

Molecular Properties

• Compound Name: 4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid
• PubChem CID: 102373054
• Molecular Formula: C70H38N4O18S
• Molecular Weight: 1255.15 g/mol
• Exact Mass: 1254.19
• IUPAC Name: 4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid
• SMILES: O=C(O)c1ccc(-c2ccc3c(c2)C(=O)N(ON2C(=O)c4ccc(-c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(-c9ccc%10c(c9)C(=O)N(ON9C(=O)c%11ccc(-c%12ccc(C(=O)O)cc%12)cc%11C9=O)C%10=O)cc8)cc7)cc6)cc5)cc4C2=O)C3=O)cc1
• InChI: InChI=1S/C70H38N4O18S/c75-61-53-29-13-43(37-1-5-41(6-2-37)69(83)84)33-57(53)65(79)71(61)91-73-63(77)55-31-15-45(35-59(55)67(73)81)39-9-17-47(18-10-39)89-49-21-25-51(26-22-49)93(87,88)52-27-23-50(24-28-52)90-48-19-11-40(12-20-48)46-16-32-56-60(36-46)68(82)74(64(56)78)92-72-62(76)54-30-14-44(34-58(54)66(72)80)38-3-7-42(8-4-38)70(85)86/h1-36H,(H,83,84)(H,85,86)
• InChIKey: OOCQHMLDQNQGFK-UHFFFAOYSA-N
• XLogP: 11.65
• TPSA: 295.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1255.15
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	2
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 4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid?

The IUPAC name of 4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid (CID 102373054) is 4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid.

What is the SMILES notation for 4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid?

The canonical SMILES for 4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid is O=C(O)c1ccc(-c2ccc3c(c2)C(=O)N(ON2C(=O)c4ccc(-c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(-c9ccc%10c(c9)C(=O)N(ON9C(=O)c%11ccc(-c%12ccc(C(=O)O)cc%12)cc%11C9=O)C%10=O)cc8)cc7)cc6)cc5)cc4C2=O)C3=O)cc1.

What is the InChIKey of 4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid?

The InChIKey is OOCQHMLDQNQGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H38N4O18S/c75-61-53-29-13-43(37-1-5-41(6-2-37)69(83)84)33-57(53)65(79)71(61)91-73-63(77)55-31-15-45(35-59(55)67(73)81)39-9-17-47(18-10-39)89-49-21-25-51(26-22-49)93(87,88)52-27-23-50(24-28-52)90-48-19-11-40(12-20-48)46-16-32-56-60(36-46)68(82)74(64(56)78)92-72-62(76)54-30-14-44(34-58(54)66(72)80)38-3-7-42(8-4-38)70(85)86/h1-36H,(H,83,84)(H,85,86).

What are the key properties of 4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid?

4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid has a molecular weight of 1255.15 g/mol, XLogP of 11.65, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[5-[4-[4-[4-[4-[2-[5-(4-carboxyphenyl)-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-2-yl]oxy-1,3-dioxoisoindol-5-yl]benzoic acid is sourced from PubChem (CID 102373054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).