N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine

C71H47NO2Si — CID 152801513

About N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine

N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 152801513) has the molecular formula C71H47NO2Si and a molecular weight of 974.25 g/mol. Its IUPAC name is N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
• PubChem CID: 152801513
• Molecular Formula: C71H47NO2Si
• Molecular Weight: 974.25 g/mol
• Exact Mass: 973.34
• IUPAC Name: N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
• SMILES: c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Oc4cc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7c(c6)oc6ccccc67)cc5)ccc43)c3ccccc32)cc1
• InChI: InChI=1S/C71H47NO2Si/c1-3-20-55(21-4-1)75(56-22-5-2-6-23-56)69-32-15-11-28-63(69)71(64-29-12-16-33-70(64)75)61-27-10-14-31-66(61)74-68-46-51(38-45-62(68)71)48-34-39-52(40-35-48)72(54-43-44-60-59-25-9-13-30-65(59)73-67(60)47-54)53-41-36-50(37-42-53)58-26-17-19-49-18-7-8-24-57(49)58/h1-47H
• InChIKey: SNQQXXHGSFEWIB-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 25.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.25
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?

The IUPAC name of N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine (CID 152801513) is N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

What is the SMILES notation for N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?

The canonical SMILES for N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine is c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Oc4cc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7c(c6)oc6ccccc67)cc5)ccc43)c3ccccc32)cc1.

What is the InChIKey of N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?

The InChIKey is SNQQXXHGSFEWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47NO2Si/c1-3-20-55(21-4-1)75(56-22-5-2-6-23-56)69-32-15-11-28-63(69)71(64-29-12-16-33-70(64)75)61-27-10-14-31-66(61)74-68-46-51(38-45-62(68)71)48-34-39-52(40-35-48)72(54-43-44-60-59-25-9-13-30-65(59)73-67(60)47-54)53-41-36-50(37-42-53)58-26-17-19-49-18-7-8-24-57(49)58/h1-47H.

What are the key properties of N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?

N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine has a molecular weight of 974.25 g/mol, XLogP of 15.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 152801513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).