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

C68H49N3Si — CID 153449160

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

4-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline (PubChem CID 153449160) has the molecular formula C68H49N3Si and a molecular weight of 936.25 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline
• PubChem CID: 153449160
• Molecular Formula: C68H49N3Si
• Molecular Weight: 936.25 g/mol
• Exact Mass: 935.37
• IUPAC Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4c(c6ccccc6n4-c4ccccc4)[Si]5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C68H49N3Si/c1-7-21-50(22-8-1)52-35-42-58(43-36-52)69(59-44-37-53(38-45-59)51-23-9-2-10-24-51)60-46-39-54(40-47-60)55-41-48-66-65(49-55)71(57-27-13-4-14-28-57)68-67(63-33-19-20-34-64(63)70(68)56-25-11-3-12-26-56)72(66,61-29-15-5-16-30-61)62-31-17-6-18-32-62/h1-49H
• InChIKey: ZJJPKDNQZVDJKV-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.25
LogP ≤ 5	15.26
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 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline?

The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline (CID 153449160) is 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline.

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

The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4c(c6ccccc6n4-c4ccccc4)[Si]5(c4ccccc4)c4ccccc4)cc3)cc2)cc1.

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

The InChIKey is ZJJPKDNQZVDJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49N3Si/c1-7-21-50(22-8-1)52-35-42-58(43-36-52)69(59-44-37-53(38-45-59)51-23-9-2-10-24-51)60-46-39-54(40-47-60)55-41-48-66-65(49-55)71(57-27-13-4-14-28-57)68-67(63-33-19-20-34-64(63)70(68)56-25-11-3-12-26-56)72(66,61-29-15-5-16-30-61)62-31-17-6-18-32-62/h1-49H.

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

4-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline has a molecular weight of 936.25 g/mol, XLogP of 15.26, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline is sourced from PubChem (CID 153449160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).