5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione

C137H128F18N6O16 — CID 165063081

About 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione

5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione (PubChem CID 165063081) has the molecular formula C137H128F18N6O16 and a molecular weight of 2456.52 g/mol. Its IUPAC name is 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione
• PubChem CID: 165063081
• Molecular Formula: C137H128F18N6O16
• Molecular Weight: 2456.52 g/mol
• Exact Mass: 2454.91
• IUPAC Name: 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione
• SMILES: CC(c1ccc2c(c1)C(=O)NC2=O)(c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccc(N6C(=O)C=CC6=O)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)C2=O)C(F)(F)F.CCCCCCCCCC1C(CCCCCCCCN2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(C(c7ccc(Oc8ccc(N9C(=O)C=CC9=O)cc8)cc7)(C(F)(F)F)C(F)(F)F)cc6)cc4)C5=O)C(F)(F)F)cc3C2=O)CCC(CCCCCC)C1CCCCCCCC
• InChI: InChI=1S/C87H100F9N3O8.C50H28F9N3O8/c1-5-8-11-14-16-21-26-31-72-60(33-32-59(28-23-13-10-7-3)71(72)30-25-20-15-12-9-6-2)29-24-19-17-18-22-27-56-97-79(102)73-52-38-63(57-75(73)80(97)103)83(4,85(88,89)90)64-39-53-74-76(58-64)82(105)99(81(74)104)66-42-50-70(51-43-66)107-68-46-36-62(37-47-68)84(86(91,92)93,87(94,95)96)61-34-44-67(45-35-61)106-69-48-40-65(41-49-69)98-77(100)54-55-78(98)101;1-46(48(51,52)53,28-6-20-36-38(24-28)43(66)60-42(36)65)29-7-21-37-39(25-29)45(68)62(44(37)67)31-10-18-35(19-11-31)70-33-14-4-27(5-15-33)47(49(54,55)56,50(57,58)59)26-2-12-32(13-3-26)69-34-16-8-30(9-17-34)61-40(63)22-23-41(61)64/h34-55,57-60,71-72H,5-33,56H2,1-4H3;2-25H,1H3,(H,60,65,66)
• InChIKey: RNHLGCLGCSIRJX-UHFFFAOYSA-N
• XLogP: 34.89
• TPSA: 269.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 49
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.52
LogP ≤ 5	34.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione?

The IUPAC name of 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione (CID 165063081) is 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione.

What is the SMILES notation for 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione?

The canonical SMILES for 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione is CC(c1ccc2c(c1)C(=O)NC2=O)(c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccc(N6C(=O)C=CC6=O)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)C2=O)C(F)(F)F.CCCCCCCCCC1C(CCCCCCCCN2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(C(c7ccc(Oc8ccc(N9C(=O)C=CC9=O)cc8)cc7)(C(F)(F)F)C(F)(F)F)cc6)cc4)C5=O)C(F)(F)F)cc3C2=O)CCC(CCCCCC)C1CCCCCCCC.

What is the InChIKey of 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione?

The InChIKey is RNHLGCLGCSIRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H100F9N3O8.C50H28F9N3O8/c1-5-8-11-14-16-21-26-31-72-60(33-32-59(28-23-13-10-7-3)71(72)30-25-20-15-12-9-6-2)29-24-19-17-18-22-27-56-97-79(102)73-52-38-63(57-75(73)80(97)103)83(4,85(88,89)90)64-39-53-74-76(58-64)82(105)99(81(74)104)66-42-50-70(51-43-66)107-68-46-36-62(37-47-68)84(86(91,92)93,87(94,95)96)61-34-44-67(45-35-61)106-69-48-40-65(41-49-69)98-77(100)54-55-78(98)101;1-46(48(51,52)53,28-6-20-36-38(24-28)43(66)60-42(36)65)29-7-21-37-39(25-29)45(68)62(44(37)67)31-10-18-35(19-11-31)70-33-14-4-27(5-15-33)47(49(54,55)56,50(57,58)59)26-2-12-32(13-3-26)69-34-16-8-30(9-17-34)61-40(63)22-23-41(61)64/h34-55,57-60,71-72H,5-33,56H2,1-4H3;2-25H,1H3,(H,60,65,66).

What are the key properties of 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione?

5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione has a molecular weight of 2456.52 g/mol, XLogP of 34.89, 49 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;5-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione is sourced from PubChem (CID 165063081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).