9-(3,4-difluorophenyl)-N-[4-[4-(N-[(9R)-9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluoro-3-methylphenyl)fluoren-2-amine

C92H62F6N2O2 — CID 170292085

About 9-(3,4-difluorophenyl)-N-[4-[4-(N-[(9R)-9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluoro-3-methylphenyl)fluoren-2-amine

9-(3,4-difluorophenyl)-N-[4-[4-(N-[(9R)-9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluoro-3-methylphenyl)fluoren-2-amine (PubChem CID 170292085) has the molecular formula C92H62F6N2O2 and a molecular weight of 1341.51 g/mol. Its IUPAC name is 9-(3,4-difluorophenyl)-N-[4-[4-(N-[(9R)-9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluoro-3-methylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-(3,4-difluorophenyl)-N-[4-[4-(N-[(9R)-9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluoro-3-methylphenyl)fluoren-2-amine
• PubChem CID: 170292085
• Molecular Formula: C92H62F6N2O2
• Molecular Weight: 1341.51 g/mol
• Exact Mass: 1340.47
• IUPAC Name: 9-(3,4-difluorophenyl)-N-[4-[4-(N-[(9R)-9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluoro-3-methylphenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccc(F)c(F)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(F)c(C)c7)c7ccc8c(c7)[C@](c7ccc(Oc9ccc(C=C)cc9)cc7)(c7ccc(F)c(F)c7)c7ccccc7-8)cc6)cc5)c5ccc(F)c(C)c5)cc43)cc2)cc1
• InChI: InChI=1S/C92H62F6N2O2/c1-5-59-15-37-73(38-16-59)101-75-41-23-63(24-42-75)91(65-27-47-87(95)89(97)53-65)81-13-9-7-11-77(81)79-45-33-71(55-83(79)91)99(69-35-49-85(93)57(3)51-69)67-29-19-61(20-30-67)62-21-31-68(32-22-62)100(70-36-50-86(94)58(4)52-70)72-34-46-80-78-12-8-10-14-82(78)92(84(80)56-72,66-28-48-88(96)90(98)54-66)64-25-43-76(44-26-64)102-74-39-17-60(6-2)18-40-74/h5-56H,1-2H2,3-4H3/t91-,92?/m1/s1
• InChIKey: CVIUWPYCLSGHBK-YUYDVBPUSA-N
• XLogP: 25.34
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1341.51
LogP ≤ 5	25.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-(3,4-difluorophenyl)-N-[4-[4-(N-[(9R)-9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluoro-3-methylphenyl)fluoren-2-amine (CID 170292085) is 9-(3,4-difluorophenyl)-N-[4-[4-(N-[(9R)-9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluoro-3-methylphenyl)fluoren-2-amine.

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

The canonical SMILES for 9-(3,4-difluorophenyl)-N-[4-[4-(N-[(9R)-9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluoro-3-methylphenyl)fluoren-2-amine is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)c(F)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(F)c(C)c7)c7ccc8c(c7)[C@](c7ccc(Oc9ccc(C=C)cc9)cc7)(c7ccc(F)c(F)c7)c7ccccc7-8)cc6)cc5)c5ccc(F)c(C)c5)cc43)cc2)cc1.

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

The InChIKey is CVIUWPYCLSGHBK-YUYDVBPUSA-N. The full InChI is InChI=1S/C92H62F6N2O2/c1-5-59-15-37-73(38-16-59)101-75-41-23-63(24-42-75)91(65-27-47-87(95)89(97)53-65)81-13-9-7-11-77(81)79-45-33-71(55-83(79)91)99(69-35-49-85(93)57(3)51-69)67-29-19-61(20-30-67)62-21-31-68(32-22-62)100(70-36-50-86(94)58(4)52-70)72-34-46-80-78-12-8-10-14-82(78)92(84(80)56-72,66-28-48-88(96)90(98)54-66)64-25-43-76(44-26-64)102-74-39-17-60(6-2)18-40-74/h5-56H,1-2H2,3-4H3/t91-,92?/m1/s1.

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

9-(3,4-difluorophenyl)-N-[4-[4-(N-[(9R)-9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluoro-3-methylphenyl)fluoren-2-amine has a molecular weight of 1341.51 g/mol, XLogP of 25.34, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,4-difluorophenyl)-N-[4-[4-(N-[(9R)-9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluoro-3-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 170292085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).