9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine

C110H86F2N2O2 — CID 166686240

About 9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine

9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine (PubChem CID 166686240) has the molecular formula C110H86F2N2O2 and a molecular weight of 1505.91 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
• PubChem CID: 166686240
• Molecular Formula: C110H86F2N2O2
• Molecular Weight: 1505.91 g/mol
• Exact Mass: 1504.67
• IUPAC Name: 9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)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)(c7ccc(C(C)(C)C)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)cc1
• InChI: InChI=1S/C110H86F2N2O2/c1-9-73-19-61-95(62-20-73)115-97-65-43-85(44-66-97)109(83-39-35-81(36-40-83)107(3,4)5)103-17-13-11-15-99(103)101-69-59-93(71-105(101)109)113(89-51-27-77(28-52-89)75-23-47-87(111)48-24-75)91-55-31-79(32-56-91)80-33-57-92(58-34-80)114(90-53-29-78(30-54-90)76-25-49-88(112)50-26-76)94-60-70-102-100-16-12-14-18-104(100)110(106(102)72-94,84-41-37-82(38-42-84)108(6,7)8)86-45-67-98(68-46-86)116-96-63-21-74(10-2)22-64-96/h9-72H,1-2H2,3-8H3
• InChIKey: GLHFOQCWTCBEPL-UHFFFAOYSA-N
• XLogP: 30.10
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1505.91
LogP ≤ 5	30.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine?

The IUPAC name of 9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine (CID 166686240) is 9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine?

The canonical SMILES for 9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine is C=Cc1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)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)(c7ccc(C(C)(C)C)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)cc1.

What is the InChIKey of 9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine?

The InChIKey is GLHFOQCWTCBEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H86F2N2O2/c1-9-73-19-61-95(62-20-73)115-97-65-43-85(44-66-97)109(83-39-35-81(36-40-83)107(3,4)5)103-17-13-11-15-99(103)101-69-59-93(71-105(101)109)113(89-51-27-77(28-52-89)75-23-47-87(111)48-24-75)91-55-31-79(32-56-91)80-33-57-92(58-34-80)114(90-53-29-78(30-54-90)76-25-49-88(112)50-26-76)94-60-70-102-100-16-12-14-18-104(100)110(106(102)72-94,84-41-37-82(38-42-84)108(6,7)8)86-45-67-98(68-46-86)116-96-63-21-74(10-2)22-64-96/h9-72H,1-2H2,3-8H3.

What are the key properties of 9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine?

9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine has a molecular weight of 1505.91 g/mol, XLogP of 30.10, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 166686240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).