2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C110H160N6O12 — CID 155625929

IUPAC2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCCCCCCCC1C(CCCCCC)=CCC(CCCCCCCCn2c(=O)c3cc4c(=O)n(CC5CC6CC5C5CC(Cn7c(=O)c8cc9c(=O)n(CCCCCCC%10CCC(CCCCCC)C(CCCCCCCC)C%10CCCCCCCCN%10C(=O)C=CC%10=O)c(=O)c9cc8c7=O)CC65)c(=O)c4cc3c2=O)C1CCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C110H160N6O12/c1-5-9-13-17-26-39-51-84-78(47-35-15-11-7-3)55-57-80(86(84)53-41-28-20-23-31-43-63-111-99(117)59-60-100(111)118)49-37-25-19-22-33-45-65-113-105(123)93-73-97-98(74-94(93)106(113)124)110(128)116(109(97)127)76-83-69-82-70-89(83)90-68-77(67-88(82)90)75-115-107(125)95-71-91-92(72-96(95)108(115)126)104(122)114(103(91)121)66-46-34-30-38-50-81-58-56-79(48-36-16-12-8-4)85(52-40-27-18-14-10-6-2)87(81)54-42-29-21-24-32-44-64-112-101(119)61-62-102(112)120/h55,59-62,71-74,77,79-90H,5-54,56-58,63-70,75-76H2,1-4H3
InChIKeyRPFBSJHKRVCRIO-UHFFFAOYSA-N
MW1758.52 g/mol
LogP23.01
Rot. Bonds62

About 2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 155625929) has the molecular formula C110H160N6O12 and a molecular weight of 1758.52 g/mol. Its IUPAC name is 2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID155625929
Molecular FormulaC110H160N6O12
Molecular Weight1758.52 g/mol
Exact Mass1757.21
IUPAC Name2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCCCCCCCC1C(CCCCCC)=CCC(CCCCCCCCn2c(=O)c3cc4c(=O)n(CC5CC6CC5C5CC(Cn7c(=O)c8cc9c(=O)n(CCCCCCC%10CCC(CCCCCC)C(CCCCCCCC)C%10CCCCCCCCN%10C(=O)C=CC%10=O)c(=O)c9cc8c7=O)CC65)c(=O)c4cc3c2=O)C1CCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C110H160N6O12/c1-5-9-13-17-26-39-51-84-78(47-35-15-11-7-3)55-57-80(86(84)53-41-28-20-23-31-43-63-111-99(117)59-60-100(111)118)49-37-25-19-22-33-45-65-113-105(123)93-73-97-98(74-94(93)106(113)124)110(128)116(109(97)127)76-83-69-82-70-89(83)90-68-77(67-88(82)90)75-115-107(125)95-71-91-92(72-96(95)108(115)126)104(122)114(103(91)121)66-46-34-30-38-50-81-58-56-79(48-36-16-12-8-4)85(52-40-27-18-14-10-6-2)87(81)54-42-29-21-24-32-44-64-112-101(119)61-62-102(112)120/h55,59-62,71-74,77,79-90H,5-54,56-58,63-70,75-76H2,1-4H3
InChIKeyRPFBSJHKRVCRIO-UHFFFAOYSA-N
XLogP23.01
TPSA231.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds62
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001758.52
LogP ≤ 523.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Related Compounds

6-[8-[2-[7-(2,5-dioxopyrrol-1-yl)heptyl]-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 153452394
2-[[8-[[6-[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 170062268
1-[7-[2-[7-(2,5-dioxopyrrol-1-yl)heptyl]-4-heptyl-3-nonylcyclohexyl]heptyl]pyrrole-2,5-dione
CID 164776468
1-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-4-octylcyclohexyl]octyl]pyrrole-2,5-dione
CID 170380794
5-[4-[2-[4-[2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]-8-tricyclo[5.2.1.02,6]decanyl]methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-[8-(4-hexyl-2-nonyl-3-octylcyclohexyl)octyl]isoindole-1,3-dione
CID 168727177
N-[[8-[(2,5-dioxopyrrol-1-yl)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-5-[4-[2-[4-[2-[8-[6-[8-[5-[4-[2-[4-[2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]-8-tricyclo[5.2.1.02,6]decanyl]methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]octyl]-3-hexyl-2-octylcyclohexyl]octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-formylbenzamide
CID 168727180
N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]-N-[8-(3-hexyl-6-methyl-2-octylcyclohexyl)octyl]acetamide
CID 123823165
6-dodecyl-2-[2-(6-dodecyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 122674536
2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 156656803
N-butyl-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]acetamide
CID 58319804
1-hexadecylpyrrole-2,5-dione
CID 4526314
N-[6-[acetyl-(2,5-dihydroxy-1-methylpyrrol-3-yl)amino]-3,5,5-trimethylhexyl]-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dihydroxypyrrol-3-yl]acetamide
CID 123856419

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 155625929) is 2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CCCCCCCCC1C(CCCCCC)=CCC(CCCCCCCCn2c(=O)c3cc4c(=O)n(CC5CC6CC5C5CC(Cn7c(=O)c8cc9c(=O)n(CCCCCCC%10CCC(CCCCCC)C(CCCCCCCC)C%10CCCCCCCCN%10C(=O)C=CC%10=O)c(=O)c9cc8c7=O)CC65)c(=O)c4cc3c2=O)C1CCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is RPFBSJHKRVCRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H160N6O12/c1-5-9-13-17-26-39-51-84-78(47-35-15-11-7-3)55-57-80(86(84)53-41-28-20-23-31-43-63-111-99(117)59-60-100(111)118)49-37-25-19-22-33-45-65-113-105(123)93-73-97-98(74-94(93)106(113)124)110(128)116(109(97)127)76-83-69-82-70-89(83)90-68-77(67-88(82)90)75-115-107(125)95-71-91-92(72-96(95)108(115)126)104(122)114(103(91)121)66-46-34-30-38-50-81-58-56-79(48-36-16-12-8-4)85(52-40-27-18-14-10-6-2)87(81)54-42-29-21-24-32-44-64-112-101(119)61-62-102(112)120/h55,59-62,71-74,77,79-90H,5-54,56-58,63-70,75-76H2,1-4H3.
What are the key properties of 2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 1758.52 g/mol, XLogP of 23.01, 62 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-[[6-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-octylcyclohex-3-en-1-yl]octyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]-6-[6-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-3-octylcyclohexyl]hexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 155625929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).