5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione

C71H70N2O8 — CID 176838525

About 5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione

5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione (PubChem CID 176838525) has the molecular formula C71H70N2O8 and a molecular weight of 1079.35 g/mol. Its IUPAC name is 5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
• PubChem CID: 176838525
• Molecular Formula: C71H70N2O8
• Molecular Weight: 1079.35 g/mol
• Exact Mass: 1078.51
• IUPAC Name: 5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
• SMILES: CCCC(c1cc(C(C)(C)C)c(Oc2ccc(C)cc2)cc1C)c1cc(C(C)(C)C)c(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(C)C8=O)cc6)cc5)cc4C3=O)cc2)cc1C
• InChI: InChI=1S/C71H70N2O8/c1-14-15-54(57-40-61(69(5,6)7)63(36-43(57)3)80-50-24-16-42(2)17-25-50)58-41-62(70(8,9)10)64(37-44(58)4)81-51-30-22-47(23-31-51)73-67(76)56-35-33-53(39-60(56)68(73)77)79-49-28-20-46(21-29-49)71(11,12)45-18-26-48(27-19-45)78-52-32-34-55-59(38-52)66(75)72(13)65(55)74/h16-41,54H,14-15H2,1-13H3
• InChIKey: IYIOGFFYTFWYEZ-UHFFFAOYSA-N
• XLogP: 17.66
• TPSA: 111.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1079.35
LogP ≤ 5	17.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?

The IUPAC name of 5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione (CID 176838525) is 5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione.

What is the SMILES notation for 5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?

The canonical SMILES for 5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione is CCCC(c1cc(C(C)(C)C)c(Oc2ccc(C)cc2)cc1C)c1cc(C(C)(C)C)c(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(C)C8=O)cc6)cc5)cc4C3=O)cc2)cc1C.

What is the InChIKey of 5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?

The InChIKey is IYIOGFFYTFWYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H70N2O8/c1-14-15-54(57-40-61(69(5,6)7)63(36-43(57)3)80-50-24-16-42(2)17-25-50)58-41-62(70(8,9)10)64(37-44(58)4)81-51-30-22-47(23-31-51)73-67(76)56-35-33-53(39-60(56)68(73)77)79-49-28-20-46(21-29-49)71(11,12)45-18-26-48(27-19-45)78-52-32-34-55-59(38-52)66(75)72(13)65(55)74/h16-41,54H,14-15H2,1-13H3.

What are the key properties of 5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?

5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione has a molecular weight of 1079.35 g/mol, XLogP of 17.66, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[4-[2-[4-[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(4-methylphenoxy)phenyl]butyl]-5-methylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 176838525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).