N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline

C74H53N3Si — CID 153449211

About N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline

N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline (PubChem CID 153449211) has the molecular formula C74H53N3Si and a molecular weight of 1012.35 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline
• PubChem CID: 153449211
• Molecular Formula: C74H53N3Si
• Molecular Weight: 1012.35 g/mol
• Exact Mass: 1011.40
• IUPAC Name: N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline
• SMILES: c1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccc6c(c5)N(c5ccccc5)c5c(c7ccccc7n5-c5ccccc5)[Si]6(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
• InChI: InChI=1S/C74H53N3Si/c1-7-24-56(25-8-1)67-38-19-20-39-68(67)57-46-49-63(50-47-57)75(60-27-9-2-10-28-60)64-33-23-26-58(52-64)54-42-44-55(45-43-54)59-48-51-72-71(53-59)77(62-31-13-4-14-32-62)74-73(69-40-21-22-41-70(69)76(74)61-29-11-3-12-30-61)78(72,65-34-15-5-16-35-65)66-36-17-6-18-37-66/h1-53H
• InChIKey: KZFLLPKBWOEVDD-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1012.35
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline?

The IUPAC name of N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline (CID 153449211) is N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline.

What is the SMILES notation for N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline?

The canonical SMILES for N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccc6c(c5)N(c5ccccc5)c5c(c7ccccc7n5-c5ccccc5)[Si]6(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1.

What is the InChIKey of N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline?

The InChIKey is KZFLLPKBWOEVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H53N3Si/c1-7-24-56(25-8-1)67-38-19-20-39-68(67)57-46-49-63(50-47-57)75(60-27-9-2-10-28-60)64-33-23-26-58(52-64)54-42-44-55(45-43-54)59-48-51-72-71(53-59)77(62-31-13-4-14-32-62)74-73(69-40-21-22-41-70(69)76(74)61-29-11-3-12-30-61)78(72,65-34-15-5-16-35-65)66-36-17-6-18-37-66/h1-53H.

What are the key properties of N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline?

N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline has a molecular weight of 1012.35 g/mol, XLogP of 16.93, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline is sourced from PubChem (CID 153449211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).