N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine

C64H44N2OSi — CID 153260612

About N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine (PubChem CID 153260612) has the molecular formula C64H44N2OSi and a molecular weight of 885.15 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine
• PubChem CID: 153260612
• Molecular Formula: C64H44N2OSi
• Molecular Weight: 885.15 g/mol
• Exact Mass: 884.32
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine
• SMILES: c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6oc7ccccc7c6c5)cc4)ccc32)cc1
• InChI: InChI=1S/C64H44N2OSi/c1-4-19-49(20-5-1)66-59-28-13-15-30-63(59)68(53-21-6-2-7-22-53,54-23-8-3-9-24-54)64-43-48(35-41-60(64)66)45-31-36-50(37-32-45)65(52-40-42-62-58(44-52)57-26-12-14-29-61(57)67-62)51-38-33-47(34-39-51)56-27-16-18-46-17-10-11-25-55(46)56/h1-44H
• InChIKey: WVDSBWUCFZSXKE-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.15
LogP ≤ 5	14.70
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-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine (CID 153260612) is N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine is c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6oc7ccccc7c6c5)cc4)ccc32)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine?

The InChIKey is WVDSBWUCFZSXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2OSi/c1-4-19-49(20-5-1)66-59-28-13-15-30-63(59)68(53-21-6-2-7-22-53,54-23-8-3-9-24-54)64-43-48(35-41-60(64)66)45-31-36-50(37-32-45)65(52-40-42-62-58(44-52)57-26-12-14-29-61(57)67-62)51-38-33-47(34-39-51)56-27-16-18-46-17-10-11-25-55(46)56/h1-44H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine?

N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 885.15 g/mol, XLogP of 14.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 153260612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).