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

C102H60F12N2O2 — CID 169294903

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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine (PubChem CID 169294903) has the molecular formula C102H60F12N2O2 and a molecular weight of 1573.59 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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine
• PubChem CID: 169294903
• Molecular Formula: C102H60F12N2O2
• Molecular Weight: 1573.59 g/mol
• Exact Mass: 1572.45
• 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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-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(F)cc6)cc5)c5ccc(-c6ccc(N(c7ccc(-c8ccc(F)cc8)cc7)c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7c(F)c(F)c(F)c(F)c7F)c7ccccc7-8)cc6)cc5)cc43)cc2)cc1
• InChI: InChI=1S/C102H60F12N2O2/c1-3-59-13-47-77(48-14-59)117-79-51-29-67(30-52-79)101(89-91(105)95(109)99(113)96(110)92(89)106)85-11-7-5-9-81(85)83-55-45-75(57-87(83)101)115(71-37-21-63(22-38-71)61-17-33-69(103)34-18-61)73-41-25-65(26-42-73)66-27-43-74(44-28-66)116(72-39-23-64(24-40-72)62-19-35-70(104)36-20-62)76-46-56-84-82-10-6-8-12-86(82)102(88(84)58-76,90-93(107)97(111)100(114)98(112)94(90)108)68-31-53-80(54-32-68)118-78-49-15-60(4-2)16-50-78/h3-58H,1-2H2
• InChIKey: LQEUJHSTVQKEJM-UHFFFAOYSA-N
• XLogP: 28.89
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1573.59
LogP ≤ 5	28.89
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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine (CID 169294903) 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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-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(F)cc6)cc5)c5ccc(-c6ccc(N(c7ccc(-c8ccc(F)cc8)cc7)c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7c(F)c(F)c(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-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine?

The InChIKey is LQEUJHSTVQKEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60F12N2O2/c1-3-59-13-47-77(48-14-59)117-79-51-29-67(30-52-79)101(89-91(105)95(109)99(113)96(110)92(89)106)85-11-7-5-9-81(85)83-55-45-75(57-87(83)101)115(71-37-21-63(22-38-71)61-17-33-69(103)34-18-61)73-41-25-65(26-42-73)66-27-43-74(44-28-66)116(72-39-23-64(24-40-72)62-19-35-70(104)36-20-62)76-46-56-84-82-10-6-8-12-86(82)102(88(84)58-76,90-93(107)97(111)100(114)98(112)94(90)108)68-31-53-80(54-32-68)118-78-49-15-60(4-2)16-50-78/h3-58H,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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine has a molecular weight of 1573.59 g/mol, XLogP of 28.89, 19 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]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine is sourced from PubChem (CID 169294903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).