N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine

C88H72F4N2O4 — CID 167019673

About N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine

N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine (PubChem CID 167019673) has the molecular formula C88H72F4N2O4 and a molecular weight of 1297.55 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine
• PubChem CID: 167019673
• Molecular Formula: C88H72F4N2O4
• Molecular Weight: 1297.55 g/mol
• Exact Mass: 1296.54
• IUPAC Name: N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine
• SMILES: CCC1(COc2ccc(C3(c4ccc(C)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccc(C)cc7)(c7ccc(OCC9(CC)COC9)cc7)c7ccccc7-8)c7ccc(F)cc7F)cc6)cc5)c5ccc(F)cc5F)cc43)cc2)COC1
• InChI: InChI=1S/C88H72F4N2O4/c1-5-85(51-95-52-85)55-97-71-39-27-63(28-40-71)87(61-23-15-57(3)16-24-61)77-13-9-7-11-73(77)75-43-37-69(49-79(75)87)93(83-45-31-65(89)47-81(83)91)67-33-19-59(20-34-67)60-21-35-68(36-22-60)94(84-46-32-66(90)48-82(84)92)70-38-44-76-74-12-8-10-14-78(74)88(80(76)50-70,62-25-17-58(4)18-26-62)64-29-41-72(42-30-64)98-56-86(6-2)53-96-54-86/h7-50H,5-6,51-56H2,1-4H3
• InChIKey: DLYBUBYDJIVATP-UHFFFAOYSA-N
• XLogP: 21.80
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.55
LogP ≤ 5	21.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine?

The IUPAC name of N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine (CID 167019673) is N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine.

What is the SMILES notation for N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine?

The canonical SMILES for N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine is CCC1(COc2ccc(C3(c4ccc(C)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccc(C)cc7)(c7ccc(OCC9(CC)COC9)cc7)c7ccccc7-8)c7ccc(F)cc7F)cc6)cc5)c5ccc(F)cc5F)cc43)cc2)COC1.

What is the InChIKey of N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine?

The InChIKey is DLYBUBYDJIVATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H72F4N2O4/c1-5-85(51-95-52-85)55-97-71-39-27-63(28-40-71)87(61-23-15-57(3)16-24-61)77-13-9-7-11-73(77)75-43-37-69(49-79(75)87)93(83-45-31-65(89)47-81(83)91)67-33-19-59(20-34-67)60-21-35-68(36-22-60)94(84-46-32-66(90)48-82(84)92)70-38-44-76-74-12-8-10-14-78(74)88(80(76)50-70,62-25-17-58(4)18-26-62)64-29-41-72(42-30-64)98-56-86(6-2)53-96-54-86/h7-50H,5-6,51-56H2,1-4H3.

What are the key properties of N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine?

N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine has a molecular weight of 1297.55 g/mol, XLogP of 21.80, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 167019673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).