[9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane

C63H42N6Si — CID 177073475

About [9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane

[9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane (PubChem CID 177073475) has the molecular formula C63H42N6Si and a molecular weight of 911.16 g/mol. Its IUPAC name is [9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane
• PubChem CID: 177073475
• Molecular Formula: C63H42N6Si
• Molecular Weight: 911.16 g/mol
• Exact Mass: 910.32
• IUPAC Name: [9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)c43)n2)cc1
• InChI: InChI=1S/C63H42N6Si/c1-5-22-43(23-6-1)61-64-62(68-55-36-18-13-30-48(55)49-31-14-19-37-56(49)68)66-63(65-61)69-57-38-20-15-32-50(57)52-34-21-39-59(60(52)69)67-54-35-17-16-33-51(54)53-42-47(40-41-58(53)67)70(44-24-7-2-8-25-44,45-26-9-3-10-27-45)46-28-11-4-12-29-46/h1-42H
• InChIKey: BUPCIABLYGCTLW-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.16
LogP ≤ 5	12.21
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 [9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane?

The IUPAC name of [9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane (CID 177073475) is [9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane.

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

The canonical SMILES for [9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane is c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)c43)n2)cc1.

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

The InChIKey is BUPCIABLYGCTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N6Si/c1-5-22-43(23-6-1)61-64-62(68-55-36-18-13-30-48(55)49-31-14-19-37-56(49)68)66-63(65-61)69-57-38-20-15-32-50(57)52-34-21-39-59(60(52)69)67-54-35-17-16-33-51(54)53-42-47(40-41-58(53)67)70(44-24-7-2-8-25-44,45-26-9-3-10-27-45)46-28-11-4-12-29-46/h1-42H.

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

[9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane has a molecular weight of 911.16 g/mol, XLogP of 12.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 177073475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).