4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline

C66H48N2Si — CID 90195275

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline (PubChem CID 90195275) has the molecular formula C66H48N2Si and a molecular weight of 897.21 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline
• PubChem CID: 90195275
• Molecular Formula: C66H48N2Si
• Molecular Weight: 897.21 g/mol
• Exact Mass: 896.36
• IUPAC Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C66H48N2Si/c1-6-18-49(19-7-1)51-30-37-55(38-31-51)67(56-39-32-52(33-40-56)50-20-8-2-9-21-50)57-41-34-53(35-42-57)54-36-47-66-64(48-54)63-28-16-17-29-65(63)68(66)58-43-45-62(46-44-58)69(59-22-10-3-11-23-59,60-24-12-4-13-25-60)61-26-14-5-15-27-61/h1-48H
• InChIKey: VNMIFXRLFHRNFC-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.21
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline?

The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline (CID 90195275) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline.

What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline?

The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.

What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline?

The InChIKey is VNMIFXRLFHRNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2Si/c1-6-18-49(19-7-1)51-30-37-55(38-31-51)67(56-39-32-52(33-40-56)50-20-8-2-9-21-50)57-41-34-53(35-42-57)54-36-47-66-64(48-54)63-28-16-17-29-65(63)68(66)58-43-45-62(46-44-58)69(59-22-10-3-11-23-59,60-24-12-4-13-25-60)61-26-14-5-15-27-61/h1-48H.

What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline?

4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline has a molecular weight of 897.21 g/mol, XLogP of 14.63, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline is sourced from PubChem (CID 90195275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).