(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium

C86H102F6N6O10S4 — CID 59189246

About (E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium

(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium (PubChem CID 59189246) has the molecular formula C86H102F6N6O10S4 and a molecular weight of 1622.05 g/mol. Its IUPAC name is (E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium.

Molecular Properties

• Compound Name: (E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium
• PubChem CID: 59189246
• Molecular Formula: C86H102F6N6O10S4
• Molecular Weight: 1622.05 g/mol
• Exact Mass: 1620.64
• IUPAC Name: (E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium
• SMILES: CCCCCN1/C(=C/C=C2\CCC(=C\C=C3\N(CCCCSOO[O-])c4ccccc4C3(C)C)/C2=[N+](\Cc2ccc(C/[N+](=C3/C(=C/C=C4/N(CCCCC)c5ccccc5C4(C)C)/CC/C3=C\C=C3\N(CCCCSOO[O-])c4ccccc4C3(C)C)S(=O)(=O)C(F)(F)F)cc2)S(=O)(=O)C(F)(F)F)C(C)(C)c2ccccc21
• InChI: InChI=1S/C86H102F6N6O10S4/c1-11-13-23-53-93-71-33-19-15-29-67(71)81(3,4)75(93)49-45-63-41-43-65(47-51-77-83(7,8)69-31-17-21-35-73(69)95(77)55-25-27-57-109-107-105-99)79(63)97(111(101,102)85(87,88)89)59-61-37-39-62(40-38-61)60-98(112(103,104)86(90,91)92)80-64(46-50-76-82(5,6)68-30-16-20-34-72(68)94(76)54-24-14-12-2)42-44-66(80)48-52-78-84(9,10)70-32-18-22-36-74(70)96(78)56-26-28-58-110-108-106-100/h15-22,29-40,45-52H,11-14,23-28,41-44,53-60H2,1-10H3
• InChIKey: JOIFKUOACOUPHK-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 170.30 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1622.05
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium?

The IUPAC name of (E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium (CID 59189246) is (E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium.

What is the SMILES notation for (E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium?

The canonical SMILES for (E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium is CCCCCN1/C(=C/C=C2\CCC(=C\C=C3\N(CCCCSOO[O-])c4ccccc4C3(C)C)/C2=[N+](\Cc2ccc(C/[N+](=C3/C(=C/C=C4/N(CCCCC)c5ccccc5C4(C)C)/CC/C3=C\C=C3\N(CCCCSOO[O-])c4ccccc4C3(C)C)S(=O)(=O)C(F)(F)F)cc2)S(=O)(=O)C(F)(F)F)C(C)(C)c2ccccc21.

What is the InChIKey of (E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium?

The InChIKey is JOIFKUOACOUPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H102F6N6O10S4/c1-11-13-23-53-93-71-33-19-15-29-67(71)81(3,4)75(93)49-45-63-41-43-65(47-51-77-83(7,8)69-31-17-21-35-73(69)95(77)55-25-27-57-109-107-105-99)79(63)97(111(101,102)85(87,88)89)59-61-37-39-62(40-38-61)60-98(112(103,104)86(90,91)92)80-64(46-50-76-82(5,6)68-30-16-20-34-72(68)94(76)54-24-14-12-2)42-44-66(80)48-52-78-84(9,10)70-32-18-22-36-74(70)96(78)56-26-28-58-110-108-106-100/h15-22,29-40,45-52H,11-14,23-28,41-44,53-60H2,1-10H3.

What are the key properties of (E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium?

(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium has a molecular weight of 1622.05 g/mol, XLogP of 19.00, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-[[4-[[(E)-[(2E,5E)-2-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-5-[(2E)-2-(3,3-dimethyl-1-pentylindol-2-ylidene)ethylidene]cyclopentylidene]-(trifluoromethylsulfonyl)azaniumyl]methyl]phenyl]methyl]-(trifluoromethylsulfonyl)azanium is sourced from PubChem (CID 59189246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).