N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine

C90H58F6N2O2 — CID 170291736

About N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine

N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine (PubChem CID 170291736) has the molecular formula C90H58F6N2O2 and a molecular weight of 1313.45 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine
• PubChem CID: 170291736
• Molecular Formula: C90H58F6N2O2
• Molecular Weight: 1313.45 g/mol
• Exact Mass: 1312.44
• IUPAC Name: N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)[C@@](c7ccc(F)cc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)c7cccc(F)c7F)cc6)cc5)c5cccc(F)c5F)cc43)cc2)cc1
• InChI: InChI=1S/C90H58F6N2O2/c1-3-57-19-45-71(46-20-57)99-73-49-31-63(32-50-73)89(61-27-35-65(91)36-28-61)79-13-7-5-11-75(79)77-53-43-69(55-81(77)89)97(85-17-9-15-83(93)87(85)95)67-39-23-59(24-40-67)60-25-41-68(42-26-60)98(86-18-10-16-84(94)88(86)96)70-44-54-78-76-12-6-8-14-80(76)90(82(78)56-70,62-29-37-66(92)38-30-62)64-33-51-74(52-34-64)100-72-47-21-58(4-2)22-48-72/h3-56H,1-2H2/t89-,90?/m0/s1
• InChIKey: CDFKMXYAKFTMCI-RVNSOLTHSA-N
• XLogP: 24.72
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1313.45
LogP ≤ 5	24.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine (CID 170291736) is N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine.

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

The canonical SMILES for N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)[C@@](c7ccc(F)cc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)c7cccc(F)c7F)cc6)cc5)c5cccc(F)c5F)cc43)cc2)cc1.

What is the InChIKey of N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine?

The InChIKey is CDFKMXYAKFTMCI-RVNSOLTHSA-N. The full InChI is InChI=1S/C90H58F6N2O2/c1-3-57-19-45-71(46-20-57)99-73-49-31-63(32-50-73)89(61-27-35-65(91)36-28-61)79-13-7-5-11-75(79)77-53-43-69(55-81(77)89)97(85-17-9-15-83(93)87(85)95)67-39-23-59(24-40-67)60-25-41-68(42-26-60)98(86-18-10-16-84(94)88(86)96)70-44-54-78-76-12-6-8-14-80(76)90(82(78)56-70,62-29-37-66(92)38-30-62)64-33-51-74(52-34-64)100-72-47-21-58(4-2)22-48-72/h3-56H,1-2H2/t89-,90?/m0/s1.

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

N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine has a molecular weight of 1313.45 g/mol, XLogP of 24.72, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine is sourced from PubChem (CID 170291736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).