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

C52H35NOSi — CID 147512340

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

N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine (PubChem CID 147512340) has the molecular formula C52H35NOSi and a molecular weight of 717.94 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine
• PubChem CID: 147512340
• Molecular Formula: C52H35NOSi
• Molecular Weight: 717.94 g/mol
• Exact Mass: 717.25
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)Oc2ccccc2[Si]32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C52H35NOSi/c1-2-15-37(16-3-1)43-20-6-9-24-46(43)53(39-31-29-38(30-32-39)42-23-14-18-36-17-4-5-19-41(36)42)40-33-34-52-48(35-40)54-47-25-10-13-28-51(47)55(52)49-26-11-7-21-44(49)45-22-8-12-27-50(45)55/h1-35H
• InChIKey: FJNXPRATOUPAHH-UHFFFAOYSA-N
• XLogP: 11.11
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.94
LogP ≤ 5	11.11
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)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine (CID 147512340) is N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine.

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

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

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

The InChIKey is FJNXPRATOUPAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NOSi/c1-2-15-37(16-3-1)43-20-6-9-24-46(43)53(39-31-29-38(30-32-39)42-23-14-18-36-17-4-5-19-41(36)42)40-33-34-52-48(35-40)54-47-25-10-13-28-51(47)55(52)49-26-11-7-21-44(49)45-22-8-12-27-50(45)55/h1-35H.

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

N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine has a molecular weight of 717.94 g/mol, XLogP of 11.11, 5 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)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine is sourced from PubChem (CID 147512340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).