9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine

C80H56F4N2 — CID 163500868

About 9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine

9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine (PubChem CID 163500868) has the molecular formula C80H56F4N2 and a molecular weight of 1121.33 g/mol. Its IUPAC name is 9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine
• PubChem CID: 163500868
• Molecular Formula: C80H56F4N2
• Molecular Weight: 1121.33 g/mol
• Exact Mass: 1120.44
• IUPAC Name: 9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(F)c(C)c6)c6ccc7c(c6)C(c6ccc(F)cc6)(c6ccc(C=C)cc6)c6ccccc6-7)cc5)cc4)c4ccc(F)c(C)c4)cc32)cc1
• InChI: InChI=1S/C80H56F4N2/c1-5-53-15-23-57(24-16-53)79(59-27-31-61(81)32-28-59)73-13-9-7-11-69(73)71-43-39-67(49-75(71)79)85(65-41-45-77(83)51(3)47-65)63-35-19-55(20-36-63)56-21-37-64(38-22-56)86(66-42-46-78(84)52(4)48-66)68-40-44-72-70-12-8-10-14-74(70)80(76(72)50-68,60-29-33-62(82)34-30-60)58-25-17-54(6-2)18-26-58/h5-50H,1-2H2,3-4H3
• InChIKey: CUOXHZAKHOICEN-UHFFFAOYSA-N
• XLogP: 21.48
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1121.33
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine?

The IUPAC name of 9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine (CID 163500868) is 9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine.

What is the SMILES notation for 9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine?

The canonical SMILES for 9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine is C=Cc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(F)c(C)c6)c6ccc7c(c6)C(c6ccc(F)cc6)(c6ccc(C=C)cc6)c6ccccc6-7)cc5)cc4)c4ccc(F)c(C)c4)cc32)cc1.

What is the InChIKey of 9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine?

The InChIKey is CUOXHZAKHOICEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H56F4N2/c1-5-53-15-23-57(24-16-53)79(59-27-31-61(81)32-28-59)73-13-9-7-11-69(73)71-43-39-67(49-75(71)79)85(65-41-45-77(83)51(3)47-65)63-35-19-55(20-36-63)56-21-37-64(38-22-56)86(66-42-46-78(84)52(4)48-66)68-40-44-72-70-12-8-10-14-74(70)80(76(72)50-68,60-29-33-62(82)34-30-60)58-25-17-54(6-2)18-26-58/h5-50H,1-2H2,3-4H3.

What are the key properties of 9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine?

9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine has a molecular weight of 1121.33 g/mol, XLogP of 21.48, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine is sourced from PubChem (CID 163500868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).