N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine

C88H72F4N2O6 — CID 167020089

About N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine

N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine (PubChem CID 167020089) has the molecular formula C88H72F4N2O6 and a molecular weight of 1329.54 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
• PubChem CID: 167020089
• Molecular Formula: C88H72F4N2O6
• Molecular Weight: 1329.54 g/mol
• Exact Mass: 1328.53
• IUPAC Name: N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
• SMILES: C=CCOc1ccc(C2(c3ccc(OCCOCC)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(F)c(F)c6)c6ccc7c(c6)C(c6ccc(OCC=C)cc6)(c6ccc(OCCOCC)cc6)c6ccccc6-7)cc5)cc4)c4ccc(F)c(F)c4)cc32)cc1
• InChI: InChI=1S/C88H72F4N2O6/c1-5-49-97-71-37-21-61(22-38-71)87(63-25-41-73(42-26-63)99-53-51-95-7-3)79-15-11-9-13-75(79)77-45-33-67(55-81(77)87)93(69-35-47-83(89)85(91)57-69)65-29-17-59(18-30-65)60-19-31-66(32-20-60)94(70-36-48-84(90)86(92)58-70)68-34-46-78-76-14-10-12-16-80(76)88(82(78)56-68,62-23-39-72(40-24-62)98-50-6-2)64-27-43-74(44-28-64)100-54-52-96-8-4/h5-6,9-48,55-58H,1-2,7-8,49-54H2,3-4H3
• InChIKey: JNQDVDBUPORWHK-UHFFFAOYSA-N
• XLogP: 21.54
• TPSA: 61.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 27
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1329.54
LogP ≤ 5	21.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine (CID 167020089) is N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine.

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

The canonical SMILES for N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine is C=CCOc1ccc(C2(c3ccc(OCCOCC)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(F)c(F)c6)c6ccc7c(c6)C(c6ccc(OCC=C)cc6)(c6ccc(OCCOCC)cc6)c6ccccc6-7)cc5)cc4)c4ccc(F)c(F)c4)cc32)cc1.

What is the InChIKey of N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

The InChIKey is JNQDVDBUPORWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H72F4N2O6/c1-5-49-97-71-37-21-61(22-38-71)87(63-25-41-73(42-26-63)99-53-51-95-7-3)79-15-11-9-13-75(79)77-45-33-67(55-81(77)87)93(69-35-47-83(89)85(91)57-69)65-29-17-59(18-30-65)60-19-31-66(32-20-60)94(70-36-48-84(90)86(92)58-70)68-34-46-78-76-14-10-12-16-80(76)88(82(78)56-68,62-23-39-72(40-24-62)98-50-6-2)64-27-43-74(44-28-64)100-54-52-96-8-4/h5-6,9-48,55-58H,1-2,7-8,49-54H2,3-4H3.

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

N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine has a molecular weight of 1329.54 g/mol, XLogP of 21.54, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine is sourced from PubChem (CID 167020089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).