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

C65H39NO — CID 138729491

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

3'-dibenzofuran-2-yl-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138729491) has the molecular formula C65H39NO and a molecular weight of 850.03 g/mol. Its IUPAC name is 3'-dibenzofuran-2-yl-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: 3'-dibenzofuran-2-yl-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 138729491
• Molecular Formula: C65H39NO
• Molecular Weight: 850.03 g/mol
• Exact Mass: 849.30
• IUPAC Name: 3'-dibenzofuran-2-yl-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C65H39NO/c1-2-18-43-40(16-1)17-15-30-61(43)66(42-33-34-48-46-21-4-3-19-44(46)45-20-5-6-22-47(45)54(48)37-42)62-39-60-55(38-53(62)41-32-35-64-56(36-41)52-26-10-14-31-63(52)67-64)51-25-9-13-29-59(51)65(60)57-27-11-7-23-49(57)50-24-8-12-28-58(50)65/h1-39H
• InChIKey: LRPZZNSWMDDRPH-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.03
LogP ≤ 5	17.68
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-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of 3'-dibenzofuran-2-yl-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138729491) is 3'-dibenzofuran-2-yl-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

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

The canonical SMILES for 3'-dibenzofuran-2-yl-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4ccccc34)cc21.

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

The InChIKey is LRPZZNSWMDDRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39NO/c1-2-18-43-40(16-1)17-15-30-61(43)66(42-33-34-48-46-21-4-3-19-44(46)45-20-5-6-22-47(45)54(48)37-42)62-39-60-55(38-53(62)41-32-35-64-56(36-41)52-26-10-14-31-63(52)67-64)51-25-9-13-29-59(51)65(60)57-27-11-7-23-49(57)50-24-8-12-28-58(50)65/h1-39H.

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

3'-dibenzofuran-2-yl-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 850.03 g/mol, XLogP of 17.68, 4 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-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138729491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).