[3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane

C75H51N5Si — CID 168836386

About [3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane

[3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane (PubChem CID 168836386) has the molecular formula C75H51N5Si and a molecular weight of 1050.35 g/mol. Its IUPAC name is [3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane.

Molecular Properties

• Compound Name: [3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane
• PubChem CID: 168836386
• Molecular Formula: C75H51N5Si
• Molecular Weight: 1050.35 g/mol
• Exact Mass: 1049.39
• IUPAC Name: [3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4nc(-c5ccccc5-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)c3)c2)cc1
• InChI: InChI=1S/C75H51N5Si/c1-5-24-52(25-6-1)55-30-21-35-60(48-55)81(59-33-11-4-12-34-59,61-36-22-31-56(49-61)53-26-7-2-8-27-53)62-37-23-32-58(50-62)73-76-74(66-41-16-20-45-71(66)79-68-42-17-13-38-63(68)64-39-14-18-43-69(64)79)78-75(77-73)80-70-44-19-15-40-65(70)67-51-57(46-47-72(67)80)54-28-9-3-10-29-54/h1-51H
• InChIKey: DAUCJWMHMUSMLL-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1050.35
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane?

The IUPAC name of [3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane (CID 168836386) is [3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane.

What is the SMILES notation for [3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane?

The canonical SMILES for [3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4nc(-c5ccccc5-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)c3)c2)cc1.

What is the InChIKey of [3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane?

The InChIKey is DAUCJWMHMUSMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H51N5Si/c1-5-24-52(25-6-1)55-30-21-35-60(48-55)81(59-33-11-4-12-34-59,61-36-22-31-56(49-61)53-26-7-2-8-27-53)62-37-23-32-58(50-62)73-76-74(66-41-16-20-45-71(66)79-68-42-17-13-38-63(68)64-39-14-18-43-69(64)79)78-75(77-73)80-70-44-19-15-40-65(70)67-51-57(46-47-72(67)80)54-28-9-3-10-29-54/h1-51H.

What are the key properties of [3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane?

[3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane has a molecular weight of 1050.35 g/mol, XLogP of 15.78, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane is sourced from PubChem (CID 168836386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).