4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione

C71H35Br4F3N6O14 — CID 158425061

About 4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione

4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione (PubChem CID 158425061) has the molecular formula C71H35Br4F3N6O14 and a molecular weight of 1572.70 g/mol. Its IUPAC name is 4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione
• PubChem CID: 158425061
• Molecular Formula: C71H35Br4F3N6O14
• Molecular Weight: 1572.70 g/mol
• Exact Mass: 1567.89
• IUPAC Name: 4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione
• SMILES: CC(c1ccc(Oc2ccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(c5c(Br)cc([N+](=O)[O-])cc5Br)C6=O)cc4C3=O)cc2)cc1)(c1ccc(Oc2ccc(N3C(=O)c4cccc(-c5ccc6c(c5)C(=O)N(c5c(Br)cc([N+](=O)[O-])cc5Br)C6=O)c4C3=O)cc2)cc1)C(F)(F)F
• InChI: InChI=1S/C71H35Br4F3N6O14/c1-70(71(76,77)78,36-10-18-42(19-11-36)97-44-22-14-38(15-23-44)79-62(85)48-26-8-34(28-52(48)66(79)89)47-5-3-7-51-59(47)69(92)82(65(51)88)61-56(74)32-41(84(95)96)33-57(61)75)37-12-20-43(21-13-37)98-45-24-16-39(17-25-45)80-64(87)50-6-2-4-46(58(50)68(80)91)35-9-27-49-53(29-35)67(90)81(63(49)86)60-54(72)30-40(83(93)94)31-55(60)73/h2-33H,1H3
• InChIKey: MPJKDQUUZHFBMB-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 254.26 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1572.70
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione?

The IUPAC name of 4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione (CID 158425061) is 4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione.

What is the SMILES notation for 4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione?

The canonical SMILES for 4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione is CC(c1ccc(Oc2ccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(c5c(Br)cc([N+](=O)[O-])cc5Br)C6=O)cc4C3=O)cc2)cc1)(c1ccc(Oc2ccc(N3C(=O)c4cccc(-c5ccc6c(c5)C(=O)N(c5c(Br)cc([N+](=O)[O-])cc5Br)C6=O)c4C3=O)cc2)cc1)C(F)(F)F.

What is the InChIKey of 4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione?

The InChIKey is MPJKDQUUZHFBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H35Br4F3N6O14/c1-70(71(76,77)78,36-10-18-42(19-11-36)97-44-22-14-38(15-23-44)79-62(85)48-26-8-34(28-52(48)66(79)89)47-5-3-7-51-59(47)69(92)82(65(51)88)61-56(74)32-41(84(95)96)33-57(61)75)37-12-20-43(21-13-37)98-45-24-16-39(17-25-45)80-64(87)50-6-2-4-46(58(50)68(80)91)35-9-27-49-53(29-35)67(90)81(63(49)86)60-54(72)30-40(83(93)94)31-55(60)73/h2-33H,1H3.

What are the key properties of 4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione?

4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione has a molecular weight of 1572.70 g/mol, XLogP of 17.54, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[2-(2,6-dibromo-4-nitrophenyl)-1,3-dioxoisoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 158425061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).