3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C71H43NO — CID 138729869

About 3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138729869) has the molecular formula C71H43NO and a molecular weight of 926.13 g/mol. Its IUPAC name is 3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: 3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 138729869
• Molecular Formula: C71H43NO
• Molecular Weight: 926.13 g/mol
• Exact Mass: 925.33
• IUPAC Name: 3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
• InChI: InChI=1S/C71H43NO/c1-2-18-49-44(16-1)17-15-27-50(49)45-32-35-47(36-33-45)72(48-37-38-55-53-21-4-3-19-51(53)52-20-5-6-22-54(52)61(55)41-48)68-43-67-62(42-60(68)46-34-39-70-63(40-46)59-26-10-14-31-69(59)73-70)58-25-9-13-30-66(58)71(67)64-28-11-7-23-56(64)57-24-8-12-29-65(57)71/h1-43H
• InChIKey: LMLMISLYHIHFSH-UHFFFAOYSA-N
• XLogP: 19.35
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.13
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of 3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138729869) is 3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for 3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for 3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.

What is the InChIKey of 3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is LMLMISLYHIHFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43NO/c1-2-18-49-44(16-1)17-15-27-50(49)45-32-35-47(36-33-45)72(48-37-38-55-53-21-4-3-19-51(53)52-20-5-6-22-54(52)61(55)41-48)68-43-67-62(42-60(68)46-34-39-70-63(40-46)59-26-10-14-31-69(59)73-70)58-25-9-13-30-66(58)71(67)64-28-11-7-23-56(64)57-24-8-12-29-65(57)71/h1-43H.

What are the key properties of 3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 926.13 g/mol, XLogP of 19.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138729869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).