N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine

C112H96F4N2O2 — CID 164948806

About N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine

N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine (PubChem CID 164948806) has the molecular formula C112H96F4N2O2 and a molecular weight of 1578.00 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine
• PubChem CID: 164948806
• Molecular Formula: C112H96F4N2O2
• Molecular Weight: 1578.00 g/mol
• Exact Mass: 1576.74
• IUPAC Name: N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4cc(C)ccc4C)c4ccccc4-c4ccc(N(c5ccc(-c6cc(CCCCCC)c(-c7ccc(N(c8ccc9c(c8)C(c8ccc(Oc%10ccc(C=C)cc%10)cc8)(c8cc(C)ccc8C)c8ccccc8-9)c8ccc(F)cc8F)cc7)cc6CCCCCC)cc5)c5ccc(F)cc5F)cc43)cc2)cc1
• InChI: InChI=1S/C112H96F4N2O2/c1-9-13-15-17-23-81-67-100(80-39-49-88(50-40-80)118(110-64-46-86(114)70-108(110)116)90-52-62-98-96-26-20-22-28-102(96)112(106(98)72-90,104-66-74(6)30-32-76(104)8)84-43-59-94(60-44-84)120-92-55-35-78(12-4)36-56-92)82(24-18-16-14-10-2)68-99(81)79-37-47-87(48-38-79)117(109-63-45-85(113)69-107(109)115)89-51-61-97-95-25-19-21-27-101(95)111(105(97)71-89,103-65-73(5)29-31-75(103)7)83-41-57-93(58-42-83)119-91-53-33-77(11-3)34-54-91/h11-12,19-22,25-72H,3-4,9-10,13-18,23-24H2,1-2,5-8H3
• InChIKey: AFZHLGJXQDDEFK-UHFFFAOYSA-N
• XLogP: 31.59
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 28
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1578.00
LogP ≤ 5	31.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine?

The IUPAC name of N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine (CID 164948806) is N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine.

What is the SMILES notation for N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine?

The canonical SMILES for N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine is C=Cc1ccc(Oc2ccc(C3(c4cc(C)ccc4C)c4ccccc4-c4ccc(N(c5ccc(-c6cc(CCCCCC)c(-c7ccc(N(c8ccc9c(c8)C(c8ccc(Oc%10ccc(C=C)cc%10)cc8)(c8cc(C)ccc8C)c8ccccc8-9)c8ccc(F)cc8F)cc7)cc6CCCCCC)cc5)c5ccc(F)cc5F)cc43)cc2)cc1.

What is the InChIKey of N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine?

The InChIKey is AFZHLGJXQDDEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H96F4N2O2/c1-9-13-15-17-23-81-67-100(80-39-49-88(50-40-80)118(110-64-46-86(114)70-108(110)116)90-52-62-98-96-26-20-22-28-102(96)112(106(98)72-90,104-66-74(6)30-32-76(104)8)84-43-59-94(60-44-84)120-92-55-35-78(12-4)36-56-92)82(24-18-16-14-10-2)68-99(81)79-37-47-87(48-38-79)117(109-63-45-85(113)69-107(109)115)89-51-61-97-95-25-19-21-27-101(95)111(105(97)71-89,103-65-73(5)29-31-75(103)7)83-41-57-93(58-42-83)119-91-53-33-77(11-3)34-54-91/h11-12,19-22,25-72H,3-4,9-10,13-18,23-24H2,1-2,5-8H3.

What are the key properties of N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine?

N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine has a molecular weight of 1578.00 g/mol, XLogP of 31.59, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine is sourced from PubChem (CID 164948806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).