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

C71H43NO — CID 138729029

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

3'-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138729029) has the molecular formula C71H43NO and a molecular weight of 926.13 g/mol. Its IUPAC name is 3'-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: 3'-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 138729029
• Molecular Formula: C71H43NO
• Molecular Weight: 926.13 g/mol
• Exact Mass: 925.33
• IUPAC Name: 3'-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
• InChI: InChI=1S/C71H43NO/c1-2-19-48-44(17-1)18-15-28-49(48)45-35-37-46(38-36-45)72(47-39-40-54-52-22-4-3-20-50(52)51-21-5-6-23-53(51)61(54)41-47)68-43-67-62(42-63(68)60-30-16-29-59-58-27-10-14-34-69(58)73-70(59)60)57-26-9-13-33-66(57)71(67)64-31-11-7-24-55(64)56-25-8-12-32-65(56)71/h1-43H
• InChIKey: JZBDXSCLQCHCDL-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-4-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of 3'-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138729029) is 3'-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

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

The canonical SMILES for 3'-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.

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

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

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

3'-dibenzofuran-4-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-4-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138729029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).