2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione

C70H69N3O9 — CID 88946547

IUPAC2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione
SMILESCCC(CC)(CCC(C)CN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccccc4)cc3)cc2C1=O)N1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(C5CCCCC5)C6=O)cc4)cc3)cc2C1=O
InChIInChI=1S/C70H69N3O9/c1-8-70(9-2,39-38-44(3)43-71-62(74)56-35-32-53(40-59(56)63(71)75)80-50-26-20-46(21-27-50)68(4,5)45-16-12-10-13-17-45)73-66(78)58-37-34-55(42-61(58)67(73)79)82-52-30-24-48(25-31-52)69(6,7)47-22-28-51(29-23-47)81-54-33-36-57-60(41-54)65(77)72(64(57)76)49-18-14-11-15-19-49/h10,12-13,16-17,20-37,40-42,44,49H,8-9,11,14-15,18-19,38-39,43H2,1-7H3
InChIKeyYSENERZQTOFXGE-UHFFFAOYSA-N
MW1096.33 g/mol
LogP15.51
Rot. Bonds19

About 2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione

2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione (PubChem CID 88946547) has the molecular formula C70H69N3O9 and a molecular weight of 1096.33 g/mol. Its IUPAC name is 2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione
PubChem CID88946547
Molecular FormulaC70H69N3O9
Molecular Weight1096.33 g/mol
Exact Mass1095.50
IUPAC Name2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione
SMILESCCC(CC)(CCC(C)CN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccccc4)cc3)cc2C1=O)N1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(C5CCCCC5)C6=O)cc4)cc3)cc2C1=O
InChIInChI=1S/C70H69N3O9/c1-8-70(9-2,39-38-44(3)43-71-62(74)56-35-32-53(40-59(56)63(71)75)80-50-26-20-46(21-27-50)68(4,5)45-16-12-10-13-17-45)73-66(78)58-37-34-55(42-61(58)67(73)79)82-52-30-24-48(25-31-52)69(6,7)47-22-28-51(29-23-47)81-54-33-36-57-60(41-54)65(77)72(64(57)76)49-18-14-11-15-19-49/h10,12-13,16-17,20-37,40-42,44,49H,8-9,11,14-15,18-19,38-39,43H2,1-7H3
InChIKeyYSENERZQTOFXGE-UHFFFAOYSA-N
XLogP15.51
TPSA139.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001096.33
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione?
The IUPAC name of 2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione (CID 88946547) is 2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione is CCC(CC)(CCC(C)CN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccccc4)cc3)cc2C1=O)N1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(C5CCCCC5)C6=O)cc4)cc3)cc2C1=O.
What is the InChIKey of 2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione?
The InChIKey is YSENERZQTOFXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H69N3O9/c1-8-70(9-2,39-38-44(3)43-71-62(74)56-35-32-53(40-59(56)63(71)75)80-50-26-20-46(21-27-50)68(4,5)45-16-12-10-13-17-45)73-66(78)58-37-34-55(42-61(58)67(73)79)82-52-30-24-48(25-31-52)69(6,7)47-22-28-51(29-23-47)81-54-33-36-57-60(41-54)65(77)72(64(57)76)49-18-14-11-15-19-49/h10,12-13,16-17,20-37,40-42,44,49H,8-9,11,14-15,18-19,38-39,43H2,1-7H3.
What are the key properties of 2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione?
2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione has a molecular weight of 1096.33 g/mol, XLogP of 15.51, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[4-[2-[4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]-5-ethyl-2-methylheptyl]-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 88946547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).