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

C90H54F10N2O2 — CID 170291629

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

9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-amine (PubChem CID 170291629) has the molecular formula C90H54F10N2O2 and a molecular weight of 1385.41 g/mol. Its IUPAC name is 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-amine
• PubChem CID: 170291629
• Molecular Formula: C90H54F10N2O2
• Molecular Weight: 1385.41 g/mol
• Exact Mass: 1384.40
• IUPAC Name: 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4c(F)cc(F)c(F)c4F)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc(-c6ccc(N(c7ccc(F)cc7)c7ccc8c(c7)[C@](c7ccc(Oc9ccc(C=C)cc9)cc7)(c7c(F)cc(F)c(F)c7F)c7ccccc7-8)cc6)cc5)cc43)cc2)cc1
• InChI: InChI=1S/C90H54F10N2O2/c1-3-53-13-39-67(40-14-53)103-69-43-21-57(22-44-69)89(83-79(93)51-81(95)85(97)87(83)99)75-11-7-5-9-71(75)73-47-37-65(49-77(73)89)101(63-33-25-59(91)26-34-63)61-29-17-55(18-30-61)56-19-31-62(32-20-56)102(64-35-27-60(92)28-36-64)66-38-48-74-72-10-6-8-12-76(72)90(78(74)50-66,84-80(94)52-82(96)86(98)88(84)100)58-23-45-70(46-24-58)104-68-41-15-54(4-2)16-42-68/h3-52H,1-2H2/t89-,90?/m1/s1
• InChIKey: VLWYDTVPXUJLNG-ATPWARCASA-N
• XLogP: 25.28
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1385.41
LogP ≤ 5	25.28
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-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-amine?

The IUPAC name of 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-amine (CID 170291629) is 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-amine.

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

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

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

The InChIKey is VLWYDTVPXUJLNG-ATPWARCASA-N. The full InChI is InChI=1S/C90H54F10N2O2/c1-3-53-13-39-67(40-14-53)103-69-43-21-57(22-44-69)89(83-79(93)51-81(95)85(97)87(83)99)75-11-7-5-9-71(75)73-47-37-65(49-77(73)89)101(63-33-25-59(91)26-34-63)61-29-17-55(18-30-61)56-19-31-62(32-20-56)102(64-35-27-60(92)28-36-64)66-38-48-74-72-10-6-8-12-76(72)90(78(74)50-66,84-80(94)52-82(96)86(98)88(84)100)58-23-45-70(46-24-58)104-68-41-15-54(4-2)16-42-68/h3-52H,1-2H2/t89-,90?/m1/s1.

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

9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-amine has a molecular weight of 1385.41 g/mol, XLogP of 25.28, 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-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-amine is sourced from PubChem (CID 170291629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).