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

C90H56F8N2O2 — CID 169294943

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

9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3,4,5-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(3,4,5-trifluorophenyl)fluoren-2-amine (PubChem CID 169294943) has the molecular formula C90H56F8N2O2 and a molecular weight of 1349.43 g/mol. Its IUPAC name is 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3,4,5-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(3,4,5-trifluorophenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3,4,5-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(3,4,5-trifluorophenyl)fluoren-2-amine
• PubChem CID: 169294943
• Molecular Formula: C90H56F8N2O2
• Molecular Weight: 1349.43 g/mol
• Exact Mass: 1348.42
• IUPAC Name: 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3,4,5-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(3,4,5-trifluorophenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4cc(F)c(F)c(F)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7cc(F)c(F)c(F)c7)c7ccccc7-8)c7ccccc7F)cc6)cc5)c5ccccc5F)cc43)cc2)cc1
• InChI: InChI=1S/C90H56F8N2O2/c1-3-55-21-39-67(40-22-55)101-69-43-29-59(30-44-69)89(61-49-81(93)87(97)82(94)50-61)75-15-7-5-13-71(75)73-47-37-65(53-77(73)89)99(85-19-11-9-17-79(85)91)63-33-25-57(26-34-63)58-27-35-64(36-28-58)100(86-20-12-10-18-80(86)92)66-38-48-74-72-14-6-8-16-76(72)90(78(74)54-66,62-51-83(95)88(98)84(96)52-62)60-31-45-70(46-32-60)102-68-41-23-56(4-2)24-42-68/h3-54H,1-2H2
• InChIKey: XSXFYRGOUSCEHC-UHFFFAOYSA-N
• XLogP: 25.00
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1349.43
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'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-(3,4,5-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(3,4,5-trifluorophenyl)fluoren-2-amine?

The IUPAC name of 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3,4,5-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(3,4,5-trifluorophenyl)fluoren-2-amine (CID 169294943) is 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3,4,5-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(3,4,5-trifluorophenyl)fluoren-2-amine.

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

The canonical SMILES for 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3,4,5-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(3,4,5-trifluorophenyl)fluoren-2-amine is C=Cc1ccc(Oc2ccc(C3(c4cc(F)c(F)c(F)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7cc(F)c(F)c(F)c7)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-(3,4,5-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(3,4,5-trifluorophenyl)fluoren-2-amine?

The InChIKey is XSXFYRGOUSCEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H56F8N2O2/c1-3-55-21-39-67(40-22-55)101-69-43-29-59(30-44-69)89(61-49-81(93)87(97)82(94)50-61)75-15-7-5-13-71(75)73-47-37-65(53-77(73)89)99(85-19-11-9-17-79(85)91)63-33-25-57(26-34-63)58-27-35-64(36-28-58)100(86-20-12-10-18-80(86)92)66-38-48-74-72-14-6-8-16-76(72)90(78(74)54-66,62-51-83(95)88(98)84(96)52-62)60-31-45-70(46-32-60)102-68-41-23-56(4-2)24-42-68/h3-54H,1-2H2.

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

9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3,4,5-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(3,4,5-trifluorophenyl)fluoren-2-amine has a molecular weight of 1349.43 g/mol, XLogP of 25.00, 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-(3,4,5-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(3,4,5-trifluorophenyl)fluoren-2-amine is sourced from PubChem (CID 169294943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).