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

C103H62F8N2O2 — CID 169294940

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

2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,2-N'-bis(2,4,5-trifluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 169294940) has the molecular formula C103H62F8N2O2 and a molecular weight of 1511.62 g/mol. Its IUPAC name is 2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,2-N'-bis(2,4,5-trifluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

• Compound Name: 2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,2-N'-bis(2,4,5-trifluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
• PubChem CID: 169294940
• Molecular Formula: C103H62F8N2O2
• Molecular Weight: 1511.62 g/mol
• Exact Mass: 1510.47
• IUPAC Name: 2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,2-N'-bis(2,4,5-trifluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7ccc8c(c7)C(c7ccc(F)cc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)c7cc(F)c(F)cc7F)cc65)c5cc(F)c(F)cc5F)cc43)cc2)cc1
• InChI: InChI=1S/C103H62F8N2O2/c1-3-61-21-41-73(42-22-61)114-75-45-29-65(30-46-75)101(63-25-33-67(104)34-26-63)85-17-9-5-13-77(85)81-49-37-69(53-89(81)101)112(99-59-95(108)93(106)57-97(99)110)71-39-51-83-79-15-7-11-19-87(79)103(91(83)55-71)88-20-12-8-16-80(88)84-52-40-72(56-92(84)103)113(100-60-96(109)94(107)58-98(100)111)70-38-50-82-78-14-6-10-18-86(78)102(90(82)54-70,64-27-35-68(105)36-28-64)66-31-47-76(48-32-66)115-74-43-23-62(4-2)24-44-74/h3-60H,1-2H2
• InChIKey: HDQVOHJROWCVLJ-UHFFFAOYSA-N
• XLogP: 27.68
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1511.62
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,2-N'-bis(2,4,5-trifluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine (CID 169294940) is 2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,2-N'-bis(2,4,5-trifluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine.

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

The canonical SMILES for 2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,2-N'-bis(2,4,5-trifluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7ccc8c(c7)C(c7ccc(F)cc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)c7cc(F)c(F)cc7F)cc65)c5cc(F)c(F)cc5F)cc43)cc2)cc1.

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

The InChIKey is HDQVOHJROWCVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H62F8N2O2/c1-3-61-21-41-73(42-22-61)114-75-45-29-65(30-46-75)101(63-25-33-67(104)34-26-63)85-17-9-5-13-77(85)81-49-37-69(53-89(81)101)112(99-59-95(108)93(106)57-97(99)110)71-39-51-83-79-15-7-11-19-87(79)103(91(83)55-71)88-20-12-8-16-80(88)84-52-40-72(56-92(84)103)113(100-60-96(109)94(107)58-98(100)111)70-38-50-82-78-14-6-10-18-86(78)102(90(82)54-70,64-27-35-68(105)36-28-64)66-31-47-76(48-32-66)115-74-43-23-62(4-2)24-44-74/h3-60H,1-2H2.

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

2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,2-N'-bis(2,4,5-trifluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 1511.62 g/mol, XLogP of 27.68, 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-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,2-N'-bis(2,4,5-trifluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 169294940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).