N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine

C48H33NOSi — CID 147100585

About N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine

N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine (PubChem CID 147100585) has the molecular formula C48H33NOSi and a molecular weight of 667.88 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine.

Molecular Properties

• Compound Name: N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine
• PubChem CID: 147100585
• Molecular Formula: C48H33NOSi
• Molecular Weight: 667.88 g/mol
• Exact Mass: 667.23
• IUPAC Name: N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3[Si]43c4ccccc4Oc4ccccc43)cc2-c2ccccc2)cc1
• InChI: InChI=1S/C48H33NOSi/c1-4-16-34(17-5-1)39-30-28-37(32-41(39)35-18-6-2-7-19-35)49(36-20-8-3-9-21-36)38-29-31-46-42(33-38)40-22-10-13-25-45(40)51(46)47-26-14-11-23-43(47)50-44-24-12-15-27-48(44)51/h1-33H
• InChIKey: BKOQCGVRKHZFOU-UHFFFAOYSA-N
• XLogP: 9.95
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.88
LogP ≤ 5	9.95
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-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine?

The IUPAC name of N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine (CID 147100585) is N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine.

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

The canonical SMILES for N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3[Si]43c4ccccc4Oc4ccccc43)cc2-c2ccccc2)cc1.

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

The InChIKey is BKOQCGVRKHZFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NOSi/c1-4-16-34(17-5-1)39-30-28-37(32-41(39)35-18-6-2-7-19-35)49(36-20-8-3-9-21-36)38-29-31-46-42(33-38)40-22-10-13-25-45(40)51(46)47-26-14-11-23-43(47)50-44-24-12-15-27-48(44)51/h1-33H.

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

N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine has a molecular weight of 667.88 g/mol, XLogP of 9.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine is sourced from PubChem (CID 147100585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).