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

C98H78F2N2O6 — CID 167019631

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

9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluorophenyl)fluoren-2-amine (PubChem CID 167019631) has the molecular formula C98H78F2N2O6 and a molecular weight of 1417.71 g/mol. Its IUPAC name is 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluorophenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluorophenyl)fluoren-2-amine
• PubChem CID: 167019631
• Molecular Formula: C98H78F2N2O6
• Molecular Weight: 1417.71 g/mol
• Exact Mass: 1416.58
• IUPAC Name: 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluorophenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccc(OCCOCC)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7cccc(F)c7)c7ccc8c(c7)C(c7ccc(OCCOCC)cc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)cc6)cc5)c5cccc(F)c5)cc43)cc2)cc1
• InChI: InChI=1S/C98H78F2N2O6/c1-5-67-23-45-85(46-24-67)107-87-53-35-73(36-54-87)97(71-31-49-83(50-32-71)105-61-59-103-7-3)93-21-11-9-19-89(93)91-57-43-81(65-95(91)97)101(79-17-13-15-75(99)63-79)77-39-27-69(28-40-77)70-29-41-78(42-30-70)102(80-18-14-16-76(100)64-80)82-44-58-92-90-20-10-12-22-94(90)98(96(92)66-82,72-33-51-84(52-34-72)106-62-60-104-8-4)74-37-55-88(56-38-74)108-86-47-25-68(6-2)26-48-86/h5-6,9-58,63-66H,1-2,7-8,59-62H2,3-4H3
• InChIKey: NFQYOIMABQICMR-UHFFFAOYSA-N
• XLogP: 25.00
• TPSA: 61.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 27
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1417.71
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-[4-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluorophenyl)fluoren-2-amine?

The IUPAC name of 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluorophenyl)fluoren-2-amine (CID 167019631) is 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluorophenyl)fluoren-2-amine.

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

The canonical SMILES for 9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluorophenyl)fluoren-2-amine is C=Cc1ccc(Oc2ccc(C3(c4ccc(OCCOCC)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7cccc(F)c7)c7ccc8c(c7)C(c7ccc(OCCOCC)cc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)cc6)cc5)c5cccc(F)c5)cc43)cc2)cc1.

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

The InChIKey is NFQYOIMABQICMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H78F2N2O6/c1-5-67-23-45-85(46-24-67)107-87-53-35-73(36-54-87)97(71-31-49-83(50-32-71)105-61-59-103-7-3)93-21-11-9-19-89(93)91-57-43-81(65-95(91)97)101(79-17-13-15-75(99)63-79)77-39-27-69(28-40-77)70-29-41-78(42-30-70)102(80-18-14-16-76(100)64-80)82-44-58-92-90-20-10-12-22-94(90)98(96(92)66-82,72-33-51-84(52-34-72)106-62-60-104-8-4)74-37-55-88(56-38-74)108-86-47-25-68(6-2)26-48-86/h5-6,9-58,63-66H,1-2,7-8,59-62H2,3-4H3.

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

9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-[4-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluorophenyl)fluoren-2-amine has a molecular weight of 1417.71 g/mol, XLogP of 25.00, 27 rotatable bonds, 0 hydrogen bond donors, and 8 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-[4-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluorophenyl)fluoren-2-amine is sourced from PubChem (CID 167019631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).