[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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione

C138H148N6O20 — CID 158178144

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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione

[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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione (PubChem CID 158178144) has the molecular formula C138H148N6O20 and a molecular weight of 2210.72 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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione.

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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
• PubChem CID: 158178144
• Molecular Formula: C138H148N6O20
• Molecular Weight: 2210.72 g/mol
• Exact Mass: 2209.07
• 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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
• 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.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(C)C7=O)cc5)cc4)cc3C2=O)C1CCCCCCCC
• InChI: InChI=1S/C70H54N4O14.C68H94N2O6/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;1-7-10-13-16-21-26-31-58-50(29-24-15-12-9-3)33-34-51(59(58)32-27-22-17-14-11-8-2)30-25-20-18-19-23-28-47-70-66(73)61-46-44-57(49-63(61)67(70)74)76-55-41-37-53(38-42-55)68(4,5)52-35-39-54(40-36-52)75-56-43-45-60-62(48-56)65(72)69(6)64(60)71/h8-35,51H,1,36-37H2,2-7H3,(H,71,75,76);35-46,48-51,58-59H,7-34,47H2,1-6H3
• InChIKey: FYGCCDCSNBXMMQ-UHFFFAOYSA-N
• XLogP: 30.88
• TPSA: 314.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 52
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2210.72
LogP ≤ 5	30.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?

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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione (CID 158178144) 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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione.

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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?

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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione 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.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(C)C7=O)cc5)cc4)cc3C2=O)C1CCCCCCCC.

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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?

The InChIKey is FYGCCDCSNBXMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N4O14.C68H94N2O6/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;1-7-10-13-16-21-26-31-58-50(29-24-15-12-9-3)33-34-51(59(58)32-27-22-17-14-11-8-2)30-25-20-18-19-23-28-47-70-66(73)61-46-44-57(49-63(61)67(70)74)76-55-41-37-53(38-42-55)68(4,5)52-35-39-54(40-36-52)75-56-43-45-60-62(48-56)65(72)69(6)64(60)71/h8-35,51H,1,36-37H2,2-7H3,(H,71,75,76);35-46,48-51,58-59H,7-34,47H2,1-6H3.

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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?

[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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione has a molecular weight of 2210.72 g/mol, XLogP of 30.88, 52 rotatable bonds, 1 hydrogen bond donors, and 20 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;5-[4-[2-[4-[2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 158178144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).