7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione

C71H84N4O26 — CID 176774732

IUPAC7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
SMILESCC(CCN1C(=O)C2C3C=CC(COCC(O)COCOCC(O)COCC45C=CC(O4)C4C(=O)N(c6ccc(O)cc6)C(=O)C45)(O3)C2C1=O)CC(C)(C)CN1C(=O)C2C3C=CC(COCC(O)COCOCC(O)COCC45C=CC(O4)C4C(=O)N(c6ccc(O)cc6)C(=O)C45)(O3)C2C1=O
InChIInChI=1S/C71H84N4O26/c1-38(16-21-72-59(82)51-47-12-17-68(98-47,55(51)63(72)86)32-90-23-43(78)27-94-36-96-29-45(80)25-92-34-70-19-14-49(100-70)53-57(70)65(88)74(61(53)84)39-4-8-41(76)9-5-39)22-67(2,3)31-73-60(83)52-48-13-18-69(99-48,56(52)64(73)87)33-91-24-44(79)28-95-37-97-30-46(81)26-93-35-71-20-15-50(101-71)54-58(71)66(89)75(62(54)85)40-6-10-42(77)11-7-40/h4-15,17-20,38,43-58,76-81H,16,21-37H2,1-3H3
InChIKeySNIKEDLGOJDEOG-UHFFFAOYSA-N
MW1409.45 g/mol
LogP-0.02
Rot. Bonds37

About 7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione

7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione (PubChem CID 176774732) has the molecular formula C71H84N4O26 and a molecular weight of 1409.45 g/mol. Its IUPAC name is 7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione.

Molecular Properties

Compound Name7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
PubChem CID176774732
Molecular FormulaC71H84N4O26
Molecular Weight1409.45 g/mol
Exact Mass1408.54
IUPAC Name7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
SMILESCC(CCN1C(=O)C2C3C=CC(COCC(O)COCOCC(O)COCC45C=CC(O4)C4C(=O)N(c6ccc(O)cc6)C(=O)C45)(O3)C2C1=O)CC(C)(C)CN1C(=O)C2C3C=CC(COCC(O)COCOCC(O)COCC45C=CC(O4)C4C(=O)N(c6ccc(O)cc6)C(=O)C45)(O3)C2C1=O
InChIInChI=1S/C71H84N4O26/c1-38(16-21-72-59(82)51-47-12-17-68(98-47,55(51)63(72)86)32-90-23-43(78)27-94-36-96-29-45(80)25-92-34-70-19-14-49(100-70)53-57(70)65(88)74(61(53)84)39-4-8-41(76)9-5-39)22-67(2,3)31-73-60(83)52-48-13-18-69(99-48,56(52)64(73)87)33-91-24-44(79)28-95-37-97-30-46(81)26-93-35-71-20-15-50(101-71)54-58(71)66(89)75(62(54)85)40-6-10-42(77)11-7-40/h4-15,17-20,38,43-58,76-81H,16,21-37H2,1-3H3
InChIKeySNIKEDLGOJDEOG-UHFFFAOYSA-N
XLogP-0.02
TPSA381.66 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds37
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001409.45
LogP ≤ 5-0.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione?
The IUPAC name of 7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione (CID 176774732) is 7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione.
What is the SMILES notation for 7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione?
The canonical SMILES for 7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione is CC(CCN1C(=O)C2C3C=CC(COCC(O)COCOCC(O)COCC45C=CC(O4)C4C(=O)N(c6ccc(O)cc6)C(=O)C45)(O3)C2C1=O)CC(C)(C)CN1C(=O)C2C3C=CC(COCC(O)COCOCC(O)COCC45C=CC(O4)C4C(=O)N(c6ccc(O)cc6)C(=O)C45)(O3)C2C1=O.
What is the InChIKey of 7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione?
The InChIKey is SNIKEDLGOJDEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H84N4O26/c1-38(16-21-72-59(82)51-47-12-17-68(98-47,55(51)63(72)86)32-90-23-43(78)27-94-36-96-29-45(80)25-92-34-70-19-14-49(100-70)53-57(70)65(88)74(61(53)84)39-4-8-41(76)9-5-39)22-67(2,3)31-73-60(83)52-48-13-18-69(99-48,56(52)64(73)87)33-91-24-44(79)28-95-37-97-30-46(81)26-93-35-71-20-15-50(101-71)54-58(71)66(89)75(62(54)85)40-6-10-42(77)11-7-40/h4-15,17-20,38,43-58,76-81H,16,21-37H2,1-3H3.
What are the key properties of 7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione?
7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione has a molecular weight of 1409.45 g/mol, XLogP of -0.02, 37 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-2-[6-[7-[[2-hydroxy-3-[[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methoxy]propoxy]methoxy]propoxy]methyl]-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-3,5,5-trimethylhexyl]-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione is sourced from PubChem (CID 176774732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).