N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine

C52H38N4Si — CID 140752711

About N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine

N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine (PubChem CID 140752711) has the molecular formula C52H38N4Si and a molecular weight of 746.99 g/mol. Its IUPAC name is N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine
• PubChem CID: 140752711
• Molecular Formula: C52H38N4Si
• Molecular Weight: 746.99 g/mol
• Exact Mass: 746.29
• IUPAC Name: N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine
• SMILES: c1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4[Si]5(c4ccccc4)c4ccccc4)n3)n2)cc1
• InChI: InChI=1S/C52H38N4Si/c1-6-20-39(21-7-1)45-30-18-34-51(53-45)56(42-24-10-3-11-25-42)52-35-19-31-46(54-52)40-36-37-50-48(38-40)55(41-22-8-2-9-23-41)47-32-16-17-33-49(47)57(50,43-26-12-4-13-27-43)44-28-14-5-15-29-44/h1-38H
• InChIKey: CKONMMMMZATQPB-UHFFFAOYSA-N
• XLogP: 10.44
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.99
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine?

The IUPAC name of N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine (CID 140752711) is N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine.

What is the SMILES notation for N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine?

The canonical SMILES for N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine is c1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4[Si]5(c4ccccc4)c4ccccc4)n3)n2)cc1.

What is the InChIKey of N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine?

The InChIKey is CKONMMMMZATQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4Si/c1-6-20-39(21-7-1)45-30-18-34-51(53-45)56(42-24-10-3-11-25-42)52-35-19-31-46(54-52)40-36-37-50-48(38-40)55(41-22-8-2-9-23-41)47-32-16-17-33-49(47)57(50,43-26-12-4-13-27-43)44-28-14-5-15-29-44/h1-38H.

What are the key properties of N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine?

N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 746.99 g/mol, XLogP of 10.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 140752711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).