2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-5-[2-[2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione

C47H30Br2F6N6O6 — CID 101459806

About 2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-5-[2-[2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione

2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-5-[2-[2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione (PubChem CID 101459806) has the molecular formula C47H30Br2F6N6O6 and a molecular weight of 1048.59 g/mol. Its IUPAC name is 2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-5-[2-[2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-5-[2-[2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
• PubChem CID: 101459806
• Molecular Formula: C47H30Br2F6N6O6
• Molecular Weight: 1048.59 g/mol
• Exact Mass: 1046.05
• IUPAC Name: 2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-5-[2-[2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
• SMILES: O=C1c2ccc(C(c3ccc4c(c3)C(=O)N(CCOc3ccc(/N=N/c5ccc(Br)cc5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C(=O)N1CCOc1ccc(/N=N/c2ccc(Br)cc2)cc1
• InChI: InChI=1S/C47H30Br2F6N6O6/c48-29-3-7-31(8-4-29)56-58-33-11-15-35(16-12-33)66-23-21-60-41(62)37-19-1-27(25-39(37)43(60)64)45(46(50,51)52,47(53,54)55)28-2-20-38-40(26-28)44(65)61(42(38)63)22-24-67-36-17-13-34(14-18-36)59-57-32-9-5-30(49)6-10-32/h1-20,25-26H,21-24H2/b58-56+,59-57+
• InChIKey: GBZMLINRQIKTTD-GORGBSBVSA-N
• XLogP: 12.80
• TPSA: 142.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1048.59
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-5-[2-[2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?

The IUPAC name of 2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-5-[2-[2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione (CID 101459806) is 2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-5-[2-[2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione.

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

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

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

The InChIKey is GBZMLINRQIKTTD-GORGBSBVSA-N. The full InChI is InChI=1S/C47H30Br2F6N6O6/c48-29-3-7-31(8-4-29)56-58-33-11-15-35(16-12-33)66-23-21-60-41(62)37-19-1-27(25-39(37)43(60)64)45(46(50,51)52,47(53,54)55)28-2-20-38-40(26-28)44(65)61(42(38)63)22-24-67-36-17-13-34(14-18-36)59-57-32-9-5-30(49)6-10-32/h1-20,25-26H,21-24H2/b58-56+,59-57+.

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

2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-5-[2-[2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione has a molecular weight of 1048.59 g/mol, XLogP of 12.80, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-5-[2-[2-[2-[4-[(4-bromophenyl)diazenyl]phenoxy]ethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 101459806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).