N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline

C69H56N2Si2 — CID 90195243

About N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline

N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline (PubChem CID 90195243) has the molecular formula C69H56N2Si2 and a molecular weight of 969.39 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
• PubChem CID: 90195243
• Molecular Formula: C69H56N2Si2
• Molecular Weight: 969.39 g/mol
• Exact Mass: 968.40
• IUPAC Name: N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
• SMILES: C[Si](C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C69H56N2Si2/c1-72(2,3)61-45-34-53(35-46-61)51-28-39-58(40-29-51)70(60-43-32-55(33-44-60)56-38-49-69-67(50-56)66-26-16-17-27-68(66)71(69)57-18-8-4-9-19-57)59-41-30-52(31-42-59)54-36-47-65(48-37-54)73(62-20-10-5-11-21-62,63-22-12-6-13-23-63)64-24-14-7-15-25-64/h4-50H,1-3H3
• InChIKey: AEOVKADYESKXRP-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.39
LogP ≤ 5	15.18
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 N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline?

The IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline (CID 90195243) is N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline.

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

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

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

The InChIKey is AEOVKADYESKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56N2Si2/c1-72(2,3)61-45-34-53(35-46-61)51-28-39-58(40-29-51)70(60-43-32-55(33-44-60)56-38-49-69-67(50-56)66-26-16-17-27-68(66)71(69)57-18-8-4-9-19-57)59-41-30-52(31-42-59)54-36-47-65(48-37-54)73(62-20-10-5-11-21-62,63-22-12-6-13-23-63)64-24-14-7-15-25-64/h4-50H,1-3H3.

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

N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline has a molecular weight of 969.39 g/mol, XLogP of 15.18, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline is sourced from PubChem (CID 90195243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).