4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline

C74H56N4Si — CID 169004129

About 4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline

4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline (PubChem CID 169004129) has the molecular formula C74H56N4Si and a molecular weight of 1029.38 g/mol. Its IUPAC name is 4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline
• PubChem CID: 169004129
• Molecular Formula: C74H56N4Si
• Molecular Weight: 1029.38 g/mol
• Exact Mass: 1028.43
• IUPAC Name: 4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline
• SMILES: C[Si](C)(c1ccc(-c2ccc3c4ccccc4n(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3c2)cc1)c1ccc(-c2ccc3c4ccccc4n(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3c2)cc1
• InChI: InChI=1S/C74H56N4Si/c1-79(2,65-45-31-53(32-46-65)55-35-49-69-67-27-15-17-29-71(67)77(73(69)51-55)63-41-37-61(38-42-63)75(57-19-7-3-8-20-57)58-21-9-4-10-22-58)66-47-33-54(34-48-66)56-36-50-70-68-28-16-18-30-72(68)78(74(70)52-56)64-43-39-62(40-44-64)76(59-23-11-5-12-24-59)60-25-13-6-14-26-60/h3-52H,1-2H3
• InChIKey: KJXARYUEPUACNP-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.38
LogP ≤ 5	18.98
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 4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline?

The IUPAC name of 4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline (CID 169004129) is 4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline.

What is the SMILES notation for 4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline?

The canonical SMILES for 4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline is C[Si](C)(c1ccc(-c2ccc3c4ccccc4n(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3c2)cc1)c1ccc(-c2ccc3c4ccccc4n(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3c2)cc1.

What is the InChIKey of 4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline?

The InChIKey is KJXARYUEPUACNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H56N4Si/c1-79(2,65-45-31-53(32-46-65)55-35-49-69-67-27-15-17-29-71(67)77(73(69)51-55)63-41-37-61(38-42-63)75(57-19-7-3-8-20-57)58-21-9-4-10-22-58)66-47-33-54(34-48-66)56-36-50-70-68-28-16-18-30-72(68)78(74(70)52-56)64-43-39-62(40-44-64)76(59-23-11-5-12-24-59)60-25-13-6-14-26-60/h3-52H,1-2H3.

What are the key properties of 4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline?

4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline has a molecular weight of 1029.38 g/mol, XLogP of 18.98, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[dimethyl-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]phenyl]silyl]phenyl]carbazol-9-yl]-N,N-diphenylaniline is sourced from PubChem (CID 169004129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).