2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione

C109H51F18N7O20S3 — CID 88977835

IUPAC2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(C(c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)c5ccc(N6C(=O)c7ccc(C(c8ccc9c(c8)C(=O)N(c8ccc(S(=O)(=O)c%10ccc(N%11C(=O)c%12ccc(C(c%13ccc%14c(c%13)C(=O)N(c%13ccc(S(=O)(=O)c%15ccc(N%16C(=O)c%17ccc(C#Cc%18ccccc%18)cc%17C%16=O)cc%15)cc%13)C%14=O)(C(F)(F)F)C(F)(F)F)cc%12C%11=O)cc%10)cc8)C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)ccc21
InChIInChI=1S/C109H51F18N7O20S3/c110-104(111,112)101(105(113,114)115,55-9-40-73-80(47-55)88(136)128-87(73)135)56-10-41-75-82(48-56)96(144)130(90(75)138)62-17-31-69(32-18-62)156(151,152)70-33-21-64(22-34-70)132-92(140)77-44-13-59(51-84(77)98(132)146)103(108(122,123)124,109(125,126)127)60-14-45-79-86(52-60)100(148)134(94(79)142)66-25-37-72(38-26-66)157(153,154)71-35-23-65(24-36-71)133-93(141)78-43-12-58(50-85(78)99(133)147)102(106(116,117)118,107(119,120)121)57-11-42-76-83(49-57)97(145)131(91(76)139)63-19-29-68(30-20-63)155(149,150)67-27-15-61(16-28-67)129-89(137)74-39-8-54(46-81(74)95(129)143)7-6-53-4-2-1-3-5-53/h1-5,8-52H,(H,128,135,136)
InChIKeyHZBBDJLVZXGWAS-UHFFFAOYSA-N
MW2216.80 g/mol
LogP19.50
Rot. Bonds18

About 2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione

2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione (PubChem CID 88977835) has the molecular formula C109H51F18N7O20S3 and a molecular weight of 2216.80 g/mol. Its IUPAC name is 2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione
PubChem CID88977835
Molecular FormulaC109H51F18N7O20S3
Molecular Weight2216.80 g/mol
Exact Mass2215.21
IUPAC Name2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(C(c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)c5ccc(N6C(=O)c7ccc(C(c8ccc9c(c8)C(=O)N(c8ccc(S(=O)(=O)c%10ccc(N%11C(=O)c%12ccc(C(c%13ccc%14c(c%13)C(=O)N(c%13ccc(S(=O)(=O)c%15ccc(N%16C(=O)c%17ccc(C#Cc%18ccccc%18)cc%17C%16=O)cc%15)cc%13)C%14=O)(C(F)(F)F)C(F)(F)F)cc%12C%11=O)cc%10)cc8)C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)ccc21
InChIInChI=1S/C109H51F18N7O20S3/c110-104(111,112)101(105(113,114)115,55-9-40-73-80(47-55)88(136)128-87(73)135)56-10-41-75-82(48-56)96(144)130(90(75)138)62-17-31-69(32-18-62)156(151,152)70-33-21-64(22-34-70)132-92(140)77-44-13-59(51-84(77)98(132)146)103(108(122,123)124,109(125,126)127)60-14-45-79-86(52-60)100(148)134(94(79)142)66-25-37-72(38-26-66)157(153,154)71-35-23-65(24-36-71)133-93(141)78-43-12-58(50-85(78)99(133)147)102(106(116,117)118,107(119,120)121)57-11-42-76-83(49-57)97(145)131(91(76)139)63-19-29-68(30-20-63)155(149,150)67-27-15-61(16-28-67)129-89(137)74-39-8-54(46-81(74)95(129)143)7-6-53-4-2-1-3-5-53/h1-5,8-52H,(H,128,135,136)
InChIKeyHZBBDJLVZXGWAS-UHFFFAOYSA-N
XLogP19.50
TPSA372.87 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002216.80
LogP ≤ 519.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione?
The IUPAC name of 2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione (CID 88977835) is 2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione?
The canonical SMILES for 2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione is O=C1NC(=O)c2cc(C(c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)c5ccc(N6C(=O)c7ccc(C(c8ccc9c(c8)C(=O)N(c8ccc(S(=O)(=O)c%10ccc(N%11C(=O)c%12ccc(C(c%13ccc%14c(c%13)C(=O)N(c%13ccc(S(=O)(=O)c%15ccc(N%16C(=O)c%17ccc(C#Cc%18ccccc%18)cc%17C%16=O)cc%15)cc%13)C%14=O)(C(F)(F)F)C(F)(F)F)cc%12C%11=O)cc%10)cc8)C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)ccc21.
What is the InChIKey of 2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione?
The InChIKey is HZBBDJLVZXGWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H51F18N7O20S3/c110-104(111,112)101(105(113,114)115,55-9-40-73-80(47-55)88(136)128-87(73)135)56-10-41-75-82(48-56)96(144)130(90(75)138)62-17-31-69(32-18-62)156(151,152)70-33-21-64(22-34-70)132-92(140)77-44-13-59(51-84(77)98(132)146)103(108(122,123)124,109(125,126)127)60-14-45-79-86(52-60)100(148)134(94(79)142)66-25-37-72(38-26-66)157(153,154)71-35-23-65(24-36-71)133-93(141)78-43-12-58(50-85(78)99(133)147)102(106(116,117)118,107(119,120)121)57-11-42-76-83(49-57)97(145)131(91(76)139)63-19-29-68(30-20-63)155(149,150)67-27-15-61(16-28-67)129-89(137)74-39-8-54(46-81(74)95(129)143)7-6-53-4-2-1-3-5-53/h1-5,8-52H,(H,128,135,136).
What are the key properties of 2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione?
2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione has a molecular weight of 2216.80 g/mol, XLogP of 19.50, 18 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-[2-[2-[4-[4-[5-[2-[2-[4-[4-[5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]sulfonylphenyl]-5-(2-phenylethynyl)isoindole-1,3-dione is sourced from PubChem (CID 88977835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).