9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine

C90H52F12N2O2 — CID 169294881

About 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine

9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine (PubChem CID 169294881) has the molecular formula C90H52F12N2O2 and a molecular weight of 1421.39 g/mol. Its IUPAC name is 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine
• PubChem CID: 169294881
• Molecular Formula: C90H52F12N2O2
• Molecular Weight: 1421.39 g/mol
• Exact Mass: 1420.38
• IUPAC Name: 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4c(F)c(F)c(F)c(F)c4F)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7c(F)c(F)c(F)c(F)c7F)c7ccccc7-8)c7ccccc7F)cc6)cc5)c5ccccc5F)cc43)cc2)cc1
• InChI: InChI=1S/C90H52F12N2O2/c1-3-51-21-39-61(40-22-51)105-63-43-29-55(30-44-63)89(77-79(93)83(97)87(101)84(98)80(77)94)69-15-7-5-13-65(69)67-47-37-59(49-71(67)89)103(75-19-11-9-17-73(75)91)57-33-25-53(26-34-57)54-27-35-58(36-28-54)104(76-20-12-10-18-74(76)92)60-38-48-68-66-14-6-8-16-70(66)90(72(68)50-60,78-81(95)85(99)88(102)86(100)82(78)96)56-31-45-64(46-32-56)106-62-41-23-52(4-2)24-42-62/h3-50H,1-2H2
• InChIKey: LEEOSZZXQYAVQX-UHFFFAOYSA-N
• XLogP: 25.56
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1421.39
LogP ≤ 5	25.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine?

The IUPAC name of 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine (CID 169294881) is 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine.

What is the SMILES notation for 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine?

The canonical SMILES for 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine is C=Cc1ccc(Oc2ccc(C3(c4c(F)c(F)c(F)c(F)c4F)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7c(F)c(F)c(F)c(F)c7F)c7ccccc7-8)c7ccccc7F)cc6)cc5)c5ccccc5F)cc43)cc2)cc1.

What is the InChIKey of 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine?

The InChIKey is LEEOSZZXQYAVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H52F12N2O2/c1-3-51-21-39-61(40-22-51)105-63-43-29-55(30-44-63)89(77-79(93)83(97)87(101)84(98)80(77)94)69-15-7-5-13-65(69)67-47-37-59(49-71(67)89)103(75-19-11-9-17-73(75)91)57-33-25-53(26-34-57)54-27-35-58(36-28-54)104(76-20-12-10-18-74(76)92)60-38-48-68-66-14-6-8-16-70(66)90(72(68)50-60,78-81(95)85(99)88(102)86(100)82(78)96)56-31-45-64(46-32-56)106-62-41-23-52(4-2)24-42-62/h3-50H,1-2H2.

What are the key properties of 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine?

9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine has a molecular weight of 1421.39 g/mol, XLogP of 25.56, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine is sourced from PubChem (CID 169294881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).