2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C227H188N12O27 — CID 158151238

IUPAC2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESC=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(N1C(=O)C=CC1=O)N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)N3C(=O)C=CC3=O)C4=O)cc2C1=O.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCn2c(=O)c3cc4c(=O)n(CCCCCCCCC5C(CCCCCCCCN6C(=O)C=CC6=O)CCC(CCCCCC)C5CCCCCCCC)c(=O)c4cc3c2=O)C1CCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C96H14N4O9.C90H146N4O8.C41H28N4O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-87(97-89(101)75-76-90(97)102)99-93(105)83-73-71-81(79-85(83)95(99)107)109-82-72-74-84-86(80-82)96(108)100(94(84)106)88(98-91(103)77-78-92(98)104)70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-9-13-17-29-41-53-75-71(49-37-15-11-7-3)58-60-74(77(75)55-43-31-21-25-34-46-66-92-85(97)63-64-86(92)98)52-40-28-20-24-35-47-67-93-87(99)79-69-81-82(70-80(79)88(93)100)90(102)94(89(81)101)68-48-36-26-22-32-44-56-78-73(51-39-27-19-23-33-45-65-91-83(95)61-62-84(91)96)59-57-72(50-38-16-12-8-4)76(78)54-42-30-18-14-10-6-2;1-41(2,23-3-7-25(8-4-23)54-27-11-13-29-31(19-27)39(52)44(37(29)50)21-42-33(46)15-16-34(42)47)24-5-9-26(10-6-24)55-28-12-14-30-32(20-28)40(53)45(38(30)51)22-43-35(48)17-18-36(43)49/h71-80H,1-2H2;61-64,69-78H,5-60,65-68H2,1-4H3;3-20H,21-22H2,1-2H3
InChIKeyFVDDVJNEPVDOFV-UHFFFAOYSA-N
MW3516.06 g/mol
LogP39.21
Rot. Bonds76

About 2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 158151238) has the molecular formula C227H188N12O27 and a molecular weight of 3516.06 g/mol. Its IUPAC name is 2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID158151238
Molecular FormulaC227H188N12O27
Molecular Weight3516.06 g/mol
Exact Mass3513.37
IUPAC Name2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESC=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(N1C(=O)C=CC1=O)N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)N3C(=O)C=CC3=O)C4=O)cc2C1=O.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCn2c(=O)c3cc4c(=O)n(CCCCCCCCC5C(CCCCCCCCN6C(=O)C=CC6=O)CCC(CCCCCC)C5CCCCCCCC)c(=O)c4cc3c2=O)C1CCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C96H14N4O9.C90H146N4O8.C41H28N4O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-87(97-89(101)75-76-90(97)102)99-93(105)83-73-71-81(79-85(83)95(99)107)109-82-72-74-84-86(80-82)96(108)100(94(84)106)88(98-91(103)77-78-92(98)104)70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-9-13-17-29-41-53-75-71(49-37-15-11-7-3)58-60-74(77(75)55-43-31-21-25-34-46-66-92-85(97)63-64-86(92)98)52-40-28-20-24-35-47-67-93-87(99)79-69-81-82(70-80(79)88(93)100)90(102)94(89(81)101)68-48-36-26-22-32-44-56-78-73(51-39-27-19-23-33-45-65-91-83(95)61-62-84(91)96)59-57-72(50-38-16-12-8-4)76(78)54-42-30-18-14-10-6-2;1-41(2,23-3-7-25(8-4-23)54-27-11-13-29-31(19-27)39(52)44(37(29)50)21-42-33(46)15-16-34(42)47)24-5-9-26(10-6-24)55-28-12-14-30-32(20-28)40(53)45(38(30)51)22-43-35(48)17-18-36(43)49/h71-80H,1-2H2;61-64,69-78H,5-60,65-68H2,1-4H3;3-20H,21-22H2,1-2H3
InChIKeyFVDDVJNEPVDOFV-UHFFFAOYSA-N
XLogP39.21
TPSA479.63 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds76
Heavy Atoms266
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003516.06
LogP ≤ 539.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 158151238) is 2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(N1C(=O)C=CC1=O)N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)N3C(=O)C=CC3=O)C4=O)cc2C1=O.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCn2c(=O)c3cc4c(=O)n(CCCCCCCCC5C(CCCCCCCCN6C(=O)C=CC6=O)CCC(CCCCCC)C5CCCCCCCC)c(=O)c4cc3c2=O)C1CCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is FVDDVJNEPVDOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H14N4O9.C90H146N4O8.C41H28N4O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-87(97-89(101)75-76-90(97)102)99-93(105)83-73-71-81(79-85(83)95(99)107)109-82-72-74-84-86(80-82)96(108)100(94(84)106)88(98-91(103)77-78-92(98)104)70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-9-13-17-29-41-53-75-71(49-37-15-11-7-3)58-60-74(77(75)55-43-31-21-25-34-46-66-92-85(97)63-64-86(92)98)52-40-28-20-24-35-47-67-93-87(99)79-69-81-82(70-80(79)88(93)100)90(102)94(89(81)101)68-48-36-26-22-32-44-56-78-73(51-39-27-19-23-33-45-65-91-83(95)61-62-84(91)96)59-57-72(50-38-16-12-8-4)76(78)54-42-30-18-14-10-6-2;1-41(2,23-3-7-25(8-4-23)54-27-11-13-29-31(19-27)39(52)44(37(29)50)21-42-33(46)15-16-34(42)47)24-5-9-26(10-6-24)55-28-12-14-30-32(20-28)40(53)45(38(30)51)22-43-35(48)17-18-36(43)49/h71-80H,1-2H2;61-64,69-78H,5-60,65-68H2,1-4H3;3-20H,21-22H2,1-2H3.
What are the key properties of 2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 3516.06 g/mol, XLogP of 39.21, 76 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-5-[2-[1-(2,5-dioxopyrrol-1-yl)hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;6-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]octyl]-2-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 158151238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).