2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine

C103H64F6N2O2 — CID 169294930

About 2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine

2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 169294930) has the molecular formula C103H64F6N2O2 and a molecular weight of 1475.64 g/mol. Its IUPAC name is 2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

• Compound Name: 2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
• PubChem CID: 169294930
• Molecular Formula: C103H64F6N2O2
• Molecular Weight: 1475.64 g/mol
• Exact Mass: 1474.49
• IUPAC Name: 2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4cc(F)cc(F)c4)c4ccccc4-c4ccc(N(c5cccc(F)c5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7cccc(F)c7)c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7cc(F)cc(F)c7)c7ccccc7-8)cc65)cc43)cc2)cc1
• InChI: InChI=1S/C103H64F6N2O2/c1-3-63-27-39-81(40-28-63)112-83-43-31-65(32-44-83)101(67-51-71(106)55-72(107)52-67)93-23-9-5-19-85(93)89-47-35-77(59-97(89)101)110(75-17-13-15-69(104)57-75)79-37-49-91-87-21-7-11-25-95(87)103(99(91)61-79)96-26-12-8-22-88(96)92-50-38-80(62-100(92)103)111(76-18-14-16-70(105)58-76)78-36-48-90-86-20-6-10-24-94(86)102(98(90)60-78,68-53-73(108)56-74(109)54-68)66-33-45-84(46-34-66)113-82-41-29-64(4-2)30-42-82/h3-62H,1-2H2
• InChIKey: OCJIFUVDNQKAIC-UHFFFAOYSA-N
• XLogP: 27.40
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1475.64
LogP ≤ 5	27.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?

The IUPAC name of 2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine (CID 169294930) is 2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine.

What is the SMILES notation for 2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?

The canonical SMILES for 2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine is C=Cc1ccc(Oc2ccc(C3(c4cc(F)cc(F)c4)c4ccccc4-c4ccc(N(c5cccc(F)c5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7cccc(F)c7)c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7cc(F)cc(F)c7)c7ccccc7-8)cc65)cc43)cc2)cc1.

What is the InChIKey of 2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?

The InChIKey is OCJIFUVDNQKAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H64F6N2O2/c1-3-63-27-39-81(40-28-63)112-83-43-31-65(32-44-83)101(67-51-71(106)55-72(107)52-67)93-23-9-5-19-85(93)89-47-35-77(59-97(89)101)110(75-17-13-15-69(104)57-75)79-37-49-91-87-21-7-11-25-95(87)103(99(91)61-79)96-26-12-8-22-88(96)92-50-38-80(62-100(92)103)111(76-18-14-16-70(105)58-76)78-36-48-90-86-20-6-10-24-94(86)102(98(90)60-78,68-53-73(108)56-74(109)54-68)66-33-45-84(46-34-66)113-82-41-29-64(4-2)30-42-82/h3-62H,1-2H2.

What are the key properties of 2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?

2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 1475.64 g/mol, XLogP of 27.40, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N'-bis[9-(3,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,2-N'-bis(3-fluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 169294930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).