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

C81H54N6Si — CID 168836362

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

[3-[4-(6-carbazol-9-yl-1-phenylcarbazol-9-yl)-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 168836362) has the molecular formula C81H54N6Si and a molecular weight of 1139.45 g/mol. Its IUPAC name is [3-[4-(6-carbazol-9-yl-1-phenylcarbazol-9-yl)-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

• Compound Name: [3-[4-(6-carbazol-9-yl-1-phenylcarbazol-9-yl)-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
• PubChem CID: 168836362
• Molecular Formula: C81H54N6Si
• Molecular Weight: 1139.45 g/mol
• Exact Mass: 1138.42
• IUPAC Name: [3-[4-(6-carbazol-9-yl-1-phenylcarbazol-9-yl)-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4nc(-n5c6ccccc6c6cccc(-c7ccccc7)c65)nc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cccc(-c7ccccc7)c65)n4)c3)c2)cc1
• InChI: InChI=1S/C81H54N6Si/c1-6-26-55(27-7-1)58-32-22-38-63(52-58)88(61-34-12-4-13-35-61,62-36-14-5-15-37-62)64-39-23-33-59(53-64)79-82-80(86-75-49-21-18-42-69(75)70-45-24-43-65(77(70)86)56-28-8-2-9-29-56)84-81(83-79)87-76-51-50-60(85-73-47-19-16-40-67(73)68-41-17-20-48-74(68)85)54-72(76)71-46-25-44-66(78(71)87)57-30-10-3-11-31-57/h1-54H
• InChIKey: ZEPUOFUGBGGORY-UHFFFAOYSA-N
• XLogP: 17.21
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1139.45
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(6-carbazol-9-yl-1-phenylcarbazol-9-yl)-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?

The IUPAC name of [3-[4-(6-carbazol-9-yl-1-phenylcarbazol-9-yl)-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane (CID 168836362) is [3-[4-(6-carbazol-9-yl-1-phenylcarbazol-9-yl)-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane.

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

The canonical SMILES for [3-[4-(6-carbazol-9-yl-1-phenylcarbazol-9-yl)-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4nc(-n5c6ccccc6c6cccc(-c7ccccc7)c65)nc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cccc(-c7ccccc7)c65)n4)c3)c2)cc1.

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

The InChIKey is ZEPUOFUGBGGORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H54N6Si/c1-6-26-55(27-7-1)58-32-22-38-63(52-58)88(61-34-12-4-13-35-61,62-36-14-5-15-37-62)64-39-23-33-59(53-64)79-82-80(86-75-49-21-18-42-69(75)70-45-24-43-65(77(70)86)56-28-8-2-9-29-56)84-81(83-79)87-76-51-50-60(85-73-47-19-16-40-67(73)68-41-17-20-48-74(68)85)54-72(76)71-46-25-44-66(78(71)87)57-30-10-3-11-31-57/h1-54H.

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

[3-[4-(6-carbazol-9-yl-1-phenylcarbazol-9-yl)-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 1139.45 g/mol, XLogP of 17.21, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(6-carbazol-9-yl-1-phenylcarbazol-9-yl)-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 168836362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).