5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione

C104H78F12N8O16 — CID 58498455

About 5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione

5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione (PubChem CID 58498455) has the molecular formula C104H78F12N8O16 and a molecular weight of 1923.78 g/mol. Its IUPAC name is 5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
• PubChem CID: 58498455
• Molecular Formula: C104H78F12N8O16
• Molecular Weight: 1923.78 g/mol
• Exact Mass: 1922.53
• IUPAC Name: 5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
• SMILES: CC(C)(C)N1C(=O)c2ccc([C@](C)(c3ccc4c(c3)C(=O)N(c3cc(-c5cc(N6C(=O)c7ccc([C@@](C)(c8ccc9c(c8)C(=O)N(C(C)(C)C)C9=O)C(F)(F)F)cc7C6=O)cc(N6C(=O)c7ccc([C@](C)(c8ccc9c(c8)C(=O)N(C(C)(C)C)C9=O)C(F)(F)F)cc7C6=O)c5)cc(N5C(=O)c6ccc([C@](C)(c7ccc8c(c7)C(=O)N(C(C)(C)C)C8=O)C(F)(F)F)cc6C5=O)c3)C4=O)C(F)(F)F)cc2C1=O
• InChI: InChI=1S/C104H78F12N8O16/c1-93(2,3)121-85(133)65-29-21-53(41-73(65)89(121)137)97(13,101(105,106)107)49-17-25-61-69(37-49)81(129)117(77(61)125)57-33-47(34-58(45-57)118-78(126)62-26-18-50(38-70(62)82(118)130)98(14,102(108,109)110)54-22-30-66-74(42-54)90(138)122(86(66)134)94(4,5)6)48-35-59(119-79(127)63-27-19-51(39-71(63)83(119)131)99(15,103(111,112)113)55-23-31-67-75(43-55)91(139)123(87(67)135)95(7,8)9)46-60(36-48)120-80(128)64-28-20-52(40-72(64)84(120)132)100(16,104(114,115)116)56-24-32-68-76(44-56)92(140)124(88(68)136)96(10,11)12/h17-46H,1-16H3/t97-,98+,99-,100+
• InChIKey: CZCTZDJXGWSOMA-OMKXNKRTSA-N
• XLogP: 19.61
• TPSA: 299.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1923.78
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	0
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 5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione?

The IUPAC name of 5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione (CID 58498455) is 5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione.

What is the SMILES notation for 5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione?

The canonical SMILES for 5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione is CC(C)(C)N1C(=O)c2ccc([C@](C)(c3ccc4c(c3)C(=O)N(c3cc(-c5cc(N6C(=O)c7ccc([C@@](C)(c8ccc9c(c8)C(=O)N(C(C)(C)C)C9=O)C(F)(F)F)cc7C6=O)cc(N6C(=O)c7ccc([C@](C)(c8ccc9c(c8)C(=O)N(C(C)(C)C)C9=O)C(F)(F)F)cc7C6=O)c5)cc(N5C(=O)c6ccc([C@](C)(c7ccc8c(c7)C(=O)N(C(C)(C)C)C8=O)C(F)(F)F)cc6C5=O)c3)C4=O)C(F)(F)F)cc2C1=O.

What is the InChIKey of 5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione?

The InChIKey is CZCTZDJXGWSOMA-OMKXNKRTSA-N. The full InChI is InChI=1S/C104H78F12N8O16/c1-93(2,3)121-85(133)65-29-21-53(41-73(65)89(121)137)97(13,101(105,106)107)49-17-25-61-69(37-49)81(129)117(77(61)125)57-33-47(34-58(45-57)118-78(126)62-26-18-50(38-70(62)82(118)130)98(14,102(108,109)110)54-22-30-66-74(42-54)90(138)122(86(66)134)94(4,5)6)48-35-59(119-79(127)63-27-19-51(39-71(63)83(119)131)99(15,103(111,112)113)55-23-31-67-75(43-55)91(139)123(87(67)135)95(7,8)9)46-60(36-48)120-80(128)64-28-20-52(40-72(64)84(120)132)100(16,104(114,115)116)56-24-32-68-76(44-56)92(140)124(88(68)136)96(10,11)12/h17-46H,1-16H3/t97-,98+,99-,100+.

What are the key properties of 5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione?

5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione has a molecular weight of 1923.78 g/mol, XLogP of 19.61, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[3-[5-[(2S)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[5-[(2R)-2-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 58498455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).