5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione

C47H30F6N8O10 — CID 101459807

About 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione

5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione (PubChem CID 101459807) has the molecular formula C47H30F6N8O10 and a molecular weight of 980.79 g/mol. Its IUPAC name is 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione
• PubChem CID: 101459807
• Molecular Formula: C47H30F6N8O10
• Molecular Weight: 980.79 g/mol
• Exact Mass: 980.20
• IUPAC Name: 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione
• SMILES: O=C1c2ccc(C(c3ccc4c(c3)C(=O)N(CCOc3ccc(/N=N/c5ccc([N+](=O)[O-])cc5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C(=O)N1CCOc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
• InChI: InChI=1S/C47H30F6N8O10/c48-46(49,50)45(47(51,52)53,27-1-19-37-39(25-27)43(64)58(41(37)62)21-23-70-35-15-7-31(8-16-35)56-54-29-3-11-33(12-4-29)60(66)67)28-2-20-38-40(26-28)44(65)59(42(38)63)22-24-71-36-17-9-32(10-18-36)57-55-30-5-13-34(14-6-30)61(68)69/h1-20,25-26H,21-24H2/b56-54+,57-55+
• InChIKey: DQPZMGSEHHTWPT-RMDWEAKOSA-N
• XLogP: 11.09
• TPSA: 228.94 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	980.79
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione?

The IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione (CID 101459807) is 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione.

What is the SMILES notation for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione?

The canonical SMILES for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione is O=C1c2ccc(C(c3ccc4c(c3)C(=O)N(CCOc3ccc(/N=N/c5ccc([N+](=O)[O-])cc5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C(=O)N1CCOc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1.

What is the InChIKey of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione?

The InChIKey is DQPZMGSEHHTWPT-RMDWEAKOSA-N. The full InChI is InChI=1S/C47H30F6N8O10/c48-46(49,50)45(47(51,52)53,27-1-19-37-39(25-27)43(64)58(41(37)62)21-23-70-35-15-7-31(8-16-35)56-54-29-3-11-33(12-4-29)60(66)67)28-2-20-38-40(26-28)44(65)59(42(38)63)22-24-71-36-17-9-32(10-18-36)57-55-30-5-13-34(14-6-30)61(68)69/h1-20,25-26H,21-24H2/b56-54+,57-55+.

What are the key properties of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione?

5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione has a molecular weight of 980.79 g/mol, XLogP of 11.09, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[2-[4-[(4-nitrophenyl)diazenyl]phenoxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 101459807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).