N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine

C116H93F2NO2 — CID 166686295

About N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine

N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 166686295) has the molecular formula C116H93F2NO2 and a molecular weight of 1571.02 g/mol. Its IUPAC name is N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 166686295
• Molecular Formula: C116H93F2NO2
• Molecular Weight: 1571.02 g/mol
• Exact Mass: 1569.72
• IUPAC Name: N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(C(CCc5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7ccc(C)c(F)c7)c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7ccc(C(C)(C)C)cc7)c7ccccc7-8)cc65)c5ccc(C)c(F)c5)cc43)cc2)cc1
• InChI: InChI=1S/C116H93F2NO2/c1-11-75-31-54-89(55-32-75)120-91-58-47-84(48-59-91)114(82-43-39-80(40-44-82)112(5,6)7)102-25-17-13-21-94(102)99-64-38-78(68-107(99)114)93(79-37-29-73(3)110(117)69-79)62-35-77-36-63-98-96-23-15-19-27-104(96)116(106(98)67-77)105-28-20-16-24-97(105)101-66-53-87(71-109(101)116)119(88-51-30-74(4)111(118)72-88)86-52-65-100-95-22-14-18-26-103(95)115(108(100)70-86,83-45-41-81(42-46-83)113(8,9)10)85-49-60-92(61-50-85)121-90-56-33-76(12-2)34-57-90/h11-34,36-61,63-72,93H,1-2,35,62H2,3-10H3
• InChIKey: HBCKGKGQBADDOM-UHFFFAOYSA-N
• XLogP: 30.35
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1571.02
LogP ≤ 5	30.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine (CID 166686295) is N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine is C=Cc1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(C(CCc5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7ccc(C)c(F)c7)c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7ccc(C(C)(C)C)cc7)c7ccccc7-8)cc65)c5ccc(C)c(F)c5)cc43)cc2)cc1.

What is the InChIKey of N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is HBCKGKGQBADDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H93F2NO2/c1-11-75-31-54-89(55-32-75)120-91-58-47-84(48-59-91)114(82-43-39-80(40-44-82)112(5,6)7)102-25-17-13-21-94(102)99-64-38-78(68-107(99)114)93(79-37-29-73(3)110(117)69-79)62-35-77-36-63-98-96-23-15-19-27-104(96)116(106(98)67-77)105-28-20-16-24-97(105)101-66-53-87(71-109(101)116)119(88-51-30-74(4)111(118)72-88)86-52-65-100-95-22-14-18-26-103(95)115(108(100)70-86,83-45-41-81(42-46-83)113(8,9)10)85-49-60-92(61-50-85)121-90-56-33-76(12-2)34-57-90/h11-34,36-61,63-72,93H,1-2,35,62H2,3-10H3.

What are the key properties of N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine?

N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 1571.02 g/mol, XLogP of 30.35, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 166686295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).