N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine

C64H45NOSi2 — CID 149268242

About N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine

N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine (PubChem CID 149268242) has the molecular formula C64H45NOSi2 and a molecular weight of 900.24 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine
• PubChem CID: 149268242
• Molecular Formula: C64H45NOSi2
• Molecular Weight: 900.24 g/mol
• Exact Mass: 899.30
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)Oc2ccccc2[Si]32c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1
• InChI: InChI=1S/C64H45NOSi2/c1-4-21-47(22-5-1)55-30-12-13-32-56(55)65(49-41-39-48(40-42-49)54-31-20-24-46-23-10-11-29-53(46)54)50-43-44-60-58(45-50)66-57-33-14-15-34-59(57)68(60)63-37-18-16-35-61(63)67(51-25-6-2-7-26-51,52-27-8-3-9-28-52)62-36-17-19-38-64(62)68/h1-45H
• InChIKey: XQOHNHLBJIZVCI-UHFFFAOYSA-N
• XLogP: 10.82
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.24
LogP ≤ 5	10.82
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)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine (CID 149268242) is N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)Oc2ccccc2[Si]32c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine?

The InChIKey is XQOHNHLBJIZVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45NOSi2/c1-4-21-47(22-5-1)55-30-12-13-32-56(55)65(49-41-39-48(40-42-49)54-31-20-24-46-23-10-11-29-53(46)54)50-43-44-60-58(45-50)66-57-33-14-15-34-59(57)68(60)63-37-18-16-35-61(63)67(51-25-6-2-7-26-51,52-27-8-3-9-28-52)62-36-17-19-38-64(62)68/h1-45H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine?

N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine has a molecular weight of 900.24 g/mol, XLogP of 10.82, 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)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine is sourced from PubChem (CID 149268242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).