[1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate

C70H54N4O14 — CID 158178145

About [1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate

[1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate (PubChem CID 158178145) has the molecular formula C70H54N4O14 and a molecular weight of 1175.22 g/mol. Its IUPAC name is [1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate
• PubChem CID: 158178145
• Molecular Formula: C70H54N4O14
• Molecular Weight: 1175.22 g/mol
• Exact Mass: 1174.36
• IUPAC Name: [1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(CN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)NC6=O)cc4)cc3)cc2C1=O)CN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O
• InChI: InChI=1S/C70H54N4O14/c1-38(2)68(83)88-51(36-73-64(79)54-30-26-49(34-58(54)66(73)81)86-45-20-12-41(13-21-45)69(3,4)39-8-16-43(17-9-39)84-47-24-28-52-56(32-47)61(76)71-60(52)75)37-74-65(80)55-31-27-50(35-59(55)67(74)82)87-46-22-14-42(15-23-46)70(5,6)40-10-18-44(19-11-40)85-48-25-29-53-57(33-48)63(78)72(7)62(53)77/h8-35,51H,1,36-37H2,2-7H3,(H,71,75,76)
• InChIKey: QRPJXKOBXZZJME-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 221.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1175.22
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate?

The IUPAC name of [1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate (CID 158178145) is [1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate.

What is the SMILES notation for [1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate?

The canonical SMILES for [1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)NC6=O)cc4)cc3)cc2C1=O)CN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O.

What is the InChIKey of [1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate?

The InChIKey is QRPJXKOBXZZJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N4O14/c1-38(2)68(83)88-51(36-73-64(79)54-30-26-49(34-58(54)66(73)81)86-45-20-12-41(13-21-45)69(3,4)39-8-16-43(17-9-39)84-47-24-28-52-56(32-47)61(76)71-60(52)75)37-74-65(80)55-31-27-50(35-59(55)67(74)82)87-46-22-14-42(15-23-46)70(5,6)40-10-18-44(19-11-40)85-48-25-29-53-57(33-48)63(78)72(7)62(53)77/h8-35,51H,1,36-37H2,2-7H3,(H,71,75,76).

What are the key properties of [1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate?

[1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate has a molecular weight of 1175.22 g/mol, XLogP of 12.00, 18 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-3-[5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]propan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 158178145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).