N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine

C58H42N2Si — CID 153459020

About N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine

N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine (PubChem CID 153459020) has the molecular formula C58H42N2Si and a molecular weight of 795.07 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine
• PubChem CID: 153459020
• Molecular Formula: C58H42N2Si
• Molecular Weight: 795.07 g/mol
• Exact Mass: 794.31
• IUPAC Name: N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4N5c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C58H42N2Si/c1-5-18-43(19-6-1)44-32-37-49(38-33-44)59(54-30-17-21-46-20-13-14-28-53(46)54)50-39-34-45(35-40-50)47-36-41-56-58(42-47)61(51-24-9-3-10-25-51,52-26-11-4-12-27-52)57-31-16-15-29-55(57)60(56)48-22-7-2-8-23-48/h1-42H
• InChIKey: RYFQFGHVWFSADW-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.07
LogP ≤ 5	12.80
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-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine?

The IUPAC name of N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine (CID 153459020) is N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine.

What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine?

The canonical SMILES for N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4N5c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1.

What is the InChIKey of N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine?

The InChIKey is RYFQFGHVWFSADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2Si/c1-5-18-43(19-6-1)44-32-37-49(38-33-44)59(54-30-17-21-46-20-13-14-28-53(46)54)50-39-34-45(35-40-50)47-36-41-56-58(42-47)61(51-24-9-3-10-25-51,52-26-11-4-12-27-52)57-31-16-15-29-55(57)60(56)48-22-7-2-8-23-48/h1-42H.

What are the key properties of N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine?

N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 795.07 g/mol, XLogP of 12.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 153459020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).