5-[4-[2-[4-[2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione

C67H53N3O9 — CID 164805811

About 5-[4-[2-[4-[2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione

5-[4-[2-[4-[2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione (PubChem CID 164805811) has the molecular formula C67H53N3O9 and a molecular weight of 1044.17 g/mol. Its IUPAC name is 5-[4-[2-[4-[2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]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-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
• PubChem CID: 164805811
• Molecular Formula: C67H53N3O9
• Molecular Weight: 1044.17 g/mol
• Exact Mass: 1043.38
• IUPAC Name: 5-[4-[2-[4-[2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
• SMILES: CN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(C(C)(C)c8ccc(Oc9ccc(N%10COc%11ccccc%11C%10)cc9)cc8)cc7)cc5)C6=O)cc4)cc3)cc2C1=O
• InChI: InChI=1S/C67H53N3O9/c1-66(2,43-10-22-49(23-11-43)76-53-30-18-47(19-31-53)69-40-42-8-6-7-9-61(42)75-41-69)44-12-24-50(25-13-44)77-54-32-20-48(21-33-54)70-64(73)58-37-35-56(39-60(58)65(70)74)79-52-28-16-46(17-29-52)67(3,4)45-14-26-51(27-15-45)78-55-34-36-57-59(38-55)63(72)68(5)62(57)71/h6-39H,40-41H2,1-5H3
• InChIKey: XUMXDBWVJQVQNG-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 124.15 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1044.17
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]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-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione (CID 164805811) is 5-[4-[2-[4-[2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]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-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]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-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(C(C)(C)c8ccc(Oc9ccc(N%10COc%11ccccc%11C%10)cc9)cc8)cc7)cc5)C6=O)cc4)cc3)cc2C1=O.

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

The InChIKey is XUMXDBWVJQVQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H53N3O9/c1-66(2,43-10-22-49(23-11-43)76-53-30-18-47(19-31-53)69-40-42-8-6-7-9-61(42)75-41-69)44-12-24-50(25-13-44)77-54-32-20-48(21-33-54)70-64(73)58-37-35-56(39-60(58)65(70)74)79-52-28-16-46(17-29-52)67(3,4)45-14-26-51(27-15-45)78-55-34-36-57-59(38-55)63(72)68(5)62(57)71/h6-39H,40-41H2,1-5H3.

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

5-[4-[2-[4-[2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione has a molecular weight of 1044.17 g/mol, XLogP of 14.89, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[4-[2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 164805811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).