3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C73H45NO — CID 138729493

About 3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138729493) has the molecular formula C73H45NO and a molecular weight of 952.17 g/mol. Its IUPAC name is 3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: 3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 138729493
• Molecular Formula: C73H45NO
• Molecular Weight: 952.17 g/mol
• Exact Mass: 951.35
• IUPAC Name: 3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5oc6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
• InChI: InChI=1S/C73H45NO/c1-3-19-46(20-4-1)49-39-50(47-21-5-2-6-22-47)41-52(40-49)74(51-36-37-57-55-25-8-7-23-53(55)54-24-9-10-26-56(54)63(57)43-51)70-45-69-64(44-62(70)48-35-38-72-65(42-48)61-30-14-18-34-71(61)75-72)60-29-13-17-33-68(60)73(69)66-31-15-11-27-58(66)59-28-12-16-32-67(59)73/h1-45H
• InChIKey: FHCJUXZBWWHMQE-UHFFFAOYSA-N
• XLogP: 19.86
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.17
LogP ≤ 5	19.86
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-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of 3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138729493) is 3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for 3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for 3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5oc6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.

What is the InChIKey of 3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is FHCJUXZBWWHMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H45NO/c1-3-19-46(20-4-1)49-39-50(47-21-5-2-6-22-47)41-52(40-49)74(51-36-37-57-55-25-8-7-23-53(55)54-24-9-10-26-56(54)63(57)43-51)70-45-69-64(44-62(70)48-35-38-72-65(42-48)61-30-14-18-34-71(61)75-72)60-29-13-17-33-68(60)73(69)66-31-15-11-27-58(66)59-28-12-16-32-67(59)73/h1-45H.

What are the key properties of 3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

3'-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 952.17 g/mol, XLogP of 19.86, 6 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-(3,5-diphenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138729493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).