N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline

C52H37NOSi — CID 140872030

About N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline

N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline (PubChem CID 140872030) has the molecular formula C52H37NOSi and a molecular weight of 719.96 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline
• PubChem CID: 140872030
• Molecular Formula: C52H37NOSi
• Molecular Weight: 719.96 g/mol
• Exact Mass: 719.26
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc([Si]4(c5ccccc5)c5ccccc5Oc5ccccc54)c3)cc2)cc1
• InChI: InChI=1S/C52H37NOSi/c1-3-15-38(16-4-1)39-29-33-42(34-30-39)53(43-35-31-41(32-36-43)48-24-13-18-40-17-7-8-23-47(40)48)44-19-14-22-46(37-44)55(45-20-5-2-6-21-45)51-27-11-9-25-49(51)54-50-26-10-12-28-52(50)55/h1-37H
• InChIKey: OLKSULOZBGSIRS-UHFFFAOYSA-N
• XLogP: 11.13
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.96
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline (CID 140872030) is N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc([Si]4(c5ccccc5)c5ccccc5Oc5ccccc54)c3)cc2)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline?

The InChIKey is OLKSULOZBGSIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NOSi/c1-3-15-38(16-4-1)39-29-33-42(34-30-39)53(43-35-31-41(32-36-43)48-24-13-18-40-17-7-8-23-47(40)48)44-19-14-22-46(37-44)55(45-20-5-2-6-21-45)51-27-11-9-25-49(51)54-50-26-10-12-28-52(50)55/h1-37H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline?

N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 719.96 g/mol, XLogP of 11.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 140872030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).