N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine

C88H72F4N2O6 — CID 170371178

About N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine

N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine (PubChem CID 170371178) has the molecular formula C88H72F4N2O6 and a molecular weight of 1329.54 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
• PubChem CID: 170371178
• Molecular Formula: C88H72F4N2O6
• Molecular Weight: 1329.54 g/mol
• Exact Mass: 1328.53
• IUPAC Name: N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
• SMILES: C=CCOc1ccc(C2(c3ccc(OCCOCC)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccc(OCC=C)cc6)(c6ccc(OCCOCC)cc6)c6ccccc6-7)c6c(F)cccc6F)cc5)cc4)c4c(F)cccc4F)cc32)cc1
• InChI: InChI=1S/C88H72F4N2O6/c1-5-51-97-69-41-27-61(28-42-69)87(63-31-45-71(46-32-63)99-55-53-95-7-3)77-17-11-9-15-73(77)75-49-39-67(57-79(75)87)93(85-81(89)19-13-20-82(85)90)65-35-23-59(24-36-65)60-25-37-66(38-26-60)94(86-83(91)21-14-22-84(86)92)68-40-50-76-74-16-10-12-18-78(74)88(80(76)58-68,62-29-43-70(44-30-62)98-52-6-2)64-33-47-72(48-34-64)100-56-54-96-8-4/h5-6,9-50,57-58H,1-2,7-8,51-56H2,3-4H3
• InChIKey: QZNAWYBPPXOYIM-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-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

The IUPAC name of N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine (CID 170371178) is N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine.

What is the SMILES notation for N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

The canonical SMILES for N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine is C=CCOc1ccc(C2(c3ccc(OCCOCC)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccc(OCC=C)cc6)(c6ccc(OCCOCC)cc6)c6ccccc6-7)c6c(F)cccc6F)cc5)cc4)c4c(F)cccc4F)cc32)cc1.

What is the InChIKey of N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

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

What are the key properties of N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

N-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-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-(2,6-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine is sourced from PubChem (CID 170371178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).