N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline

C48H36N2Si — CID 165050185

About N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline

N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline (PubChem CID 165050185) has the molecular formula C48H36N2Si and a molecular weight of 668.92 g/mol. Its IUPAC name is N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline
• PubChem CID: 165050185
• Molecular Formula: C48H36N2Si
• Molecular Weight: 668.92 g/mol
• Exact Mass: 668.26
• IUPAC Name: N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline
• SMILES: c1ccc(N(c2ccccc2)c2ccc([Si]3(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/C48H36N2Si/c1-5-17-37(18-6-1)49(38-19-7-2-8-20-38)41-29-33-43(34-30-41)51(47-27-15-13-25-45(47)46-26-14-16-28-48(46)51)44-35-31-42(32-36-44)50(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h1-36H
• InChIKey: ZILUAAFPTUYMCB-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.92
LogP ≤ 5	9.98
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,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline?

The IUPAC name of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline (CID 165050185) is N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline.

What is the SMILES notation for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline?

The canonical SMILES for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline is c1ccc(N(c2ccccc2)c2ccc([Si]3(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline?

The InChIKey is ZILUAAFPTUYMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2Si/c1-5-17-37(18-6-1)49(38-19-7-2-8-20-38)41-29-33-43(34-30-41)51(47-27-15-13-25-45(47)46-26-14-16-28-48(46)51)44-35-31-42(32-36-44)50(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h1-36H.

What are the key properties of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline?

N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline has a molecular weight of 668.92 g/mol, XLogP of 9.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline is sourced from PubChem (CID 165050185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).