4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine

C90H54F8N2O3 — CID 177262774

About 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine

4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine (PubChem CID 177262774) has the molecular formula C90H54F8N2O3 and a molecular weight of 1363.42 g/mol. Its IUPAC name is 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine.

Molecular Properties

• Compound Name: 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine
• PubChem CID: 177262774
• Molecular Formula: C90H54F8N2O3
• Molecular Weight: 1363.42 g/mol
• Exact Mass: 1362.40
• IUPAC Name: 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4cc(F)c(F)cc4F)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5cccc6c5oc5c(N(c7ccc(F)cc7)c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7cc(F)c(F)cc7F)c7ccccc7-8)cccc56)cc43)cc2)cc1
• InChI: InChI=1S/C90H54F8N2O3/c1-3-53-19-37-63(38-20-53)101-65-41-23-55(24-42-65)89(77-49-81(95)83(97)51-79(77)93)73-15-7-5-11-67(73)69-45-35-61(47-75(69)89)99(59-31-27-57(91)28-32-59)85-17-9-13-71-72-14-10-18-86(88(72)103-87(71)85)100(60-33-29-58(92)30-34-60)62-36-46-70-68-12-6-8-16-74(68)90(76(70)48-62,78-50-82(96)84(98)52-80(78)94)56-25-43-66(44-26-56)102-64-39-21-54(4-2)22-40-64/h3-52H,1-2H2
• InChIKey: LFEPPAAHWMIAJI-UHFFFAOYSA-N
• XLogP: 25.24
• TPSA: 38.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1363.42
LogP ≤ 5	25.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine?

The IUPAC name of 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine (CID 177262774) is 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine.

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

The canonical SMILES for 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine is C=Cc1ccc(Oc2ccc(C3(c4cc(F)c(F)cc4F)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5cccc6c5oc5c(N(c7ccc(F)cc7)c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7cc(F)c(F)cc7F)c7ccccc7-8)cccc56)cc43)cc2)cc1.

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

The InChIKey is LFEPPAAHWMIAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54F8N2O3/c1-3-53-19-37-63(38-20-53)101-65-41-23-55(24-42-65)89(77-49-81(95)83(97)51-79(77)93)73-15-7-5-11-67(73)69-45-35-61(47-75(69)89)99(59-31-27-57(91)28-32-59)85-17-9-13-71-72-14-10-18-86(88(72)103-87(71)85)100(60-33-29-58(92)30-34-60)62-36-46-70-68-12-6-8-16-74(68)90(76(70)48-62,78-50-82(96)84(98)52-80(78)94)56-25-43-66(44-26-56)102-64-39-21-54(4-2)22-40-64/h3-52H,1-2H2.

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

4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine has a molecular weight of 1363.42 g/mol, XLogP of 25.24, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine is sourced from PubChem (CID 177262774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).