N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine

C78H45F8NO3 — CID 169286422

About N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine

N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine (PubChem CID 169286422) has the molecular formula C78H45F8NO3 and a molecular weight of 1196.21 g/mol. Its IUPAC name is N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine
• PubChem CID: 169286422
• Molecular Formula: C78H45F8NO3
• Molecular Weight: 1196.21 g/mol
• Exact Mass: 1195.33
• IUPAC Name: N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4c(F)c(F)cc(F)c4F)c4ccccc4-c4ccc(N(c5ccc6c(c5)C(c5ccc(Oc7ccc(C=C)cc7)cc5)(c5c(F)c(F)cc(F)c5F)c5ccccc5-6)c5ccc6c(c5)oc5ccccc56)cc43)cc2)cc1
• InChI: InChI=1S/C78H45F8NO3/c1-3-44-17-28-51(29-18-44)88-53-32-21-46(22-33-53)77(71-73(83)65(79)42-66(80)74(71)84)61-14-8-5-11-55(61)57-36-25-48(39-63(57)77)87(50-27-38-60-59-13-7-10-16-69(59)90-70(60)41-50)49-26-37-58-56-12-6-9-15-62(56)78(64(58)40-49,72-75(85)67(81)43-68(82)76(72)86)47-23-34-54(35-24-47)89-52-30-19-45(4-2)20-31-52/h3-43H,1-2H2
• InChIKey: ZUCIQBOUWMLRBA-UHFFFAOYSA-N
• XLogP: 21.77
• TPSA: 34.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1196.21
LogP ≤ 5	21.77
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 N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine?

The IUPAC name of N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine (CID 169286422) is N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine.

What is the SMILES notation for N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine?

The canonical SMILES for N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine is C=Cc1ccc(Oc2ccc(C3(c4c(F)c(F)cc(F)c4F)c4ccccc4-c4ccc(N(c5ccc6c(c5)C(c5ccc(Oc7ccc(C=C)cc7)cc5)(c5c(F)c(F)cc(F)c5F)c5ccccc5-6)c5ccc6c(c5)oc5ccccc56)cc43)cc2)cc1.

What is the InChIKey of N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine?

The InChIKey is ZUCIQBOUWMLRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H45F8NO3/c1-3-44-17-28-51(29-18-44)88-53-32-21-46(22-33-53)77(71-73(83)65(79)42-66(80)74(71)84)61-14-8-5-11-55(61)57-36-25-48(39-63(57)77)87(50-27-38-60-59-13-7-10-16-69(59)90-70(60)41-50)49-26-37-58-56-12-6-9-15-62(56)78(64(58)40-49,72-75(85)67(81)43-68(82)76(72)86)47-23-34-54(35-24-47)89-52-30-19-45(4-2)20-31-52/h3-43H,1-2H2.

What are the key properties of N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine?

N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine has a molecular weight of 1196.21 g/mol, XLogP of 21.77, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine is sourced from PubChem (CID 169286422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).