N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline

C66H51N5Si — CID 90195301

About N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline

N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline (PubChem CID 90195301) has the molecular formula C66H51N5Si and a molecular weight of 942.26 g/mol. Its IUPAC name is N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline
• PubChem CID: 90195301
• Molecular Formula: C66H51N5Si
• Molecular Weight: 942.26 g/mol
• Exact Mass: 941.39
• IUPAC Name: N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline
• SMILES: C[Si](C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)cc2)cc1
• InChI: InChI=1S/C66H51N5Si/c1-72(2,3)59-41-32-49(33-42-59)48-28-37-56(38-29-48)70(55-35-26-47(27-36-55)46-16-7-4-8-17-46)57-39-30-50(31-40-57)53-34-43-63-61(45-53)60-24-13-14-25-62(60)71(63)58-23-15-22-54(44-58)66-68-64(51-18-9-5-10-19-51)67-65(69-66)52-20-11-6-12-21-52/h4-45H,1-3H3
• InChIKey: QUMBVMDVAIYVAJ-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.26
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline?

The IUPAC name of N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline (CID 90195301) is N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline.

What is the SMILES notation for N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline?

The canonical SMILES for N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline is C[Si](C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline?

The InChIKey is QUMBVMDVAIYVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N5Si/c1-72(2,3)59-41-32-49(33-42-59)48-28-37-56(38-29-48)70(55-35-26-47(27-36-55)46-16-7-4-8-17-46)57-39-30-50(31-40-57)53-34-43-63-61(45-53)60-24-13-14-25-62(60)71(63)58-23-15-22-54(44-58)66-68-64(51-18-9-5-10-19-51)67-65(69-66)52-20-11-6-12-21-52/h4-45H,1-3H3.

What are the key properties of N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline?

N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline has a molecular weight of 942.26 g/mol, XLogP of 16.99, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline is sourced from PubChem (CID 90195301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).