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

C130H152N6O16 — CID 168727180

IUPACN-[[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
SMILESCCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(CC6CC8CC6C6CC(CN9C(=O)C=CC9=O)CC86)C7=O)cc5)cc4)cc3C2=O)C1CCCCCCCCN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(C=O)c(C(=O)NCC6CC7C8CC(CN9C(=O)C=CC9=O)C(C8)C7C6)c5)cc4)cc3)cc2C1=O
InChIInChI=1S/C130H152N6O16/c1-7-9-11-13-19-25-31-103-84(29-23-12-10-8-2)33-34-85(30-24-18-14-16-21-27-63-132-123(143)105-56-53-100(74-115(105)126(132)146)151-97-49-40-93(41-50-97)130(5,6)94-42-51-98(52-43-94)152-102-55-58-107-117(76-102)128(148)136(125(107)145)80-90-70-88-72-111(90)114-68-83(67-109(88)114)78-134-118(138)59-60-119(134)139)104(103)32-26-20-15-17-22-28-64-133-124(144)106-57-54-101(75-116(106)127(133)147)150-96-47-38-92(39-48-96)129(3,4)91-36-45-95(46-37-91)149-99-44-35-86(81-137)112(73-99)122(142)131-77-82-65-108-87-69-89(110(71-87)113(108)66-82)79-135-120(140)61-62-121(135)141/h35-62,73-76,81-85,87-90,103-104,108-111,113-114H,7-34,63-72,77-80H2,1-6H3,(H,131,142)
InChIKeyGDCVCABTZCWXGY-UHFFFAOYSA-N
MW2054.67 g/mol
LogP27.43
Rot. Bonds52

About 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

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 (PubChem CID 168727180) has the molecular formula C130H152N6O16 and a molecular weight of 2054.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID168727180
Molecular FormulaC130H152N6O16
Molecular Weight2054.67 g/mol
Exact Mass2053.13
IUPAC NameN-[[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
SMILESCCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(CC6CC8CC6C6CC(CN9C(=O)C=CC9=O)CC86)C7=O)cc5)cc4)cc3C2=O)C1CCCCCCCCN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(C=O)c(C(=O)NCC6CC7C8CC(CN9C(=O)C=CC9=O)C(C8)C7C6)c5)cc4)cc3)cc2C1=O
InChIInChI=1S/C130H152N6O16/c1-7-9-11-13-19-25-31-103-84(29-23-12-10-8-2)33-34-85(30-24-18-14-16-21-27-63-132-123(143)105-56-53-100(74-115(105)126(132)146)151-97-49-40-93(41-50-97)130(5,6)94-42-51-98(52-43-94)152-102-55-58-107-117(76-102)128(148)136(125(107)145)80-90-70-88-72-111(90)114-68-83(67-109(88)114)78-134-118(138)59-60-119(134)139)104(103)32-26-20-15-17-22-28-64-133-124(144)106-57-54-101(75-116(106)127(133)147)150-96-47-38-92(39-48-96)129(3,4)91-36-45-95(46-37-91)149-99-44-35-86(81-137)112(73-99)122(142)131-77-82-65-108-87-69-89(110(71-87)113(108)66-82)79-135-120(140)61-62-121(135)141/h35-62,73-76,81-85,87-90,103-104,108-111,113-114H,7-34,63-72,77-80H2,1-6H3,(H,131,142)
InChIKeyGDCVCABTZCWXGY-UHFFFAOYSA-N
XLogP27.43
TPSA269.99 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds52
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002054.67
LogP ≤ 527.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(CC6CC8CC6C6CC(CN9C(=O)C=CC9=O)CC86)C7=O)cc5)cc4)cc3C2=O)C1CCCCCCCCN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(C=O)c(C(=O)NCC6CC7C8CC(CN9C(=O)C=CC9=O)C(C8)C7C6)c5)cc4)cc3)cc2C1=O.
What is the InChIKey of 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?
The InChIKey is GDCVCABTZCWXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H152N6O16/c1-7-9-11-13-19-25-31-103-84(29-23-12-10-8-2)33-34-85(30-24-18-14-16-21-27-63-132-123(143)105-56-53-100(74-115(105)126(132)146)151-97-49-40-93(41-50-97)130(5,6)94-42-51-98(52-43-94)152-102-55-58-107-117(76-102)128(148)136(125(107)145)80-90-70-88-72-111(90)114-68-83(67-109(88)114)78-134-118(138)59-60-119(134)139)104(103)32-26-20-15-17-22-28-64-133-124(144)106-57-54-101(75-116(106)127(133)147)150-96-47-38-92(39-48-96)129(3,4)91-36-45-95(46-37-91)149-99-44-35-86(81-137)112(73-99)122(142)131-77-82-65-108-87-69-89(110(71-87)113(108)66-82)79-135-120(140)61-62-121(135)141/h35-62,73-76,81-85,87-90,103-104,108-111,113-114H,7-34,63-72,77-80H2,1-6H3,(H,131,142).
What are the key properties of 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?
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 has a molecular weight of 2054.67 g/mol, XLogP of 27.43, 52 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168727180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).