[4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate

C116H120N8O25 — CID 89177683

About [4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate

[4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate (PubChem CID 89177683) has the molecular formula C116H120N8O25 and a molecular weight of 2026.27 g/mol. Its IUPAC name is [4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate.

Molecular Properties

• Compound Name: [4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate
• PubChem CID: 89177683
• Molecular Formula: C116H120N8O25
• Molecular Weight: 2026.27 g/mol
• Exact Mass: 2024.84
• IUPAC Name: [4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate
• SMILES: Cc1cc(C)c(/C=C2\C(=O)N(C(=O)OCc3cc(C)c(OCCOCC(COCC(COCCOc4c(C)cc(COC(=O)N5C(=O)C(Cc6[nH]c(C)cc6C)c6ccccc65)cc4C)OCCOC(=O)Oc4c(C)cc(COC(=O)N5C(=O)/C(=C\c6[nH]c(C)cc6C)c6ccccc65)cc4C)OCCOC(=O)Oc4c(C)cc(COC(=O)N5C(=O)/C(=C\c6[nH]c(C)cc6C)c6ccccc65)cc4C)c(C)c3)c3ccccc32)[nH]1
• InChI: InChI=1S/C116H120N8O25/c1-65-41-77(13)117-95(65)53-91-87-25-17-21-29-99(87)121(107(91)125)111(129)144-57-81-45-69(5)103(70(6)46-81)140-35-33-135-61-85(138-37-39-142-115(133)148-105-73(9)49-83(50-74(105)10)59-146-113(131)123-101-31-23-19-27-89(101)93(109(123)127)55-97-67(3)43-79(15)119-97)63-137-64-86(62-136-34-36-141-104-71(7)47-82(48-72(104)8)58-145-112(130)122-100-30-22-18-26-88(100)92(108(122)126)54-96-66(2)42-78(14)118-96)139-38-40-143-116(134)149-106-75(11)51-84(52-76(106)12)60-147-114(132)124-102-32-24-20-28-90(102)94(110(124)128)56-98-68(4)44-80(16)120-98/h17-32,41-53,55-56,85-86,92,117-120H,33-40,54,57-64H2,1-16H3/b91-53-,93-55-,94-56-
• InChIKey: IDGBQVSXHXKFNP-ZFOKALGWSA-N
• XLogP: 21.32
• TPSA: 385.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 39
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2026.27
LogP ≤ 5	21.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate?

The IUPAC name of [4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate (CID 89177683) is [4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate.

What is the SMILES notation for [4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate?

The canonical SMILES for [4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate is Cc1cc(C)c(/C=C2\C(=O)N(C(=O)OCc3cc(C)c(OCCOCC(COCC(COCCOc4c(C)cc(COC(=O)N5C(=O)C(Cc6[nH]c(C)cc6C)c6ccccc65)cc4C)OCCOC(=O)Oc4c(C)cc(COC(=O)N5C(=O)/C(=C\c6[nH]c(C)cc6C)c6ccccc65)cc4C)OCCOC(=O)Oc4c(C)cc(COC(=O)N5C(=O)/C(=C\c6[nH]c(C)cc6C)c6ccccc65)cc4C)c(C)c3)c3ccccc32)[nH]1.

What is the InChIKey of [4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate?

The InChIKey is IDGBQVSXHXKFNP-ZFOKALGWSA-N. The full InChI is InChI=1S/C116H120N8O25/c1-65-41-77(13)117-95(65)53-91-87-25-17-21-29-99(87)121(107(91)125)111(129)144-57-81-45-69(5)103(70(6)46-81)140-35-33-135-61-85(138-37-39-142-115(133)148-105-73(9)49-83(50-74(105)10)59-146-113(131)123-101-31-23-19-27-89(101)93(109(123)127)55-97-67(3)43-79(15)119-97)63-137-64-86(62-136-34-36-141-104-71(7)47-82(48-72(104)8)58-145-112(130)122-100-30-22-18-26-88(100)92(108(122)126)54-96-66(2)42-78(14)118-96)139-38-40-143-116(134)149-106-75(11)51-84(52-76(106)12)60-147-114(132)124-102-32-24-20-28-90(102)94(110(124)128)56-98-68(4)44-80(16)120-98/h17-32,41-53,55-56,85-86,92,117-120H,33-40,54,57-64H2,1-16H3/b91-53-,93-55-,94-56-.

What are the key properties of [4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate?

[4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate has a molecular weight of 2026.27 g/mol, XLogP of 21.32, 39 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[2-[4-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]carbonyloxyethoxy]-3-[2-[4-[[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-oxo-3H-indole-1-carbonyl]oxymethyl]-2,6-dimethylphenoxy]ethoxy]propoxy]propoxy]ethoxy]-3,5-dimethylphenyl]methyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate is sourced from PubChem (CID 89177683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).