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

C69H45N5Si — CID 176620870

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

[9-(4-carbazol-9-yl-6-tetraphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-1-yl]-triphenylsilane (PubChem CID 176620870) has the molecular formula C69H45N5Si and a molecular weight of 972.24 g/mol. Its IUPAC name is [9-(4-carbazol-9-yl-6-tetraphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-1-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [9-(4-carbazol-9-yl-6-tetraphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-1-yl]-triphenylsilane
• PubChem CID: 176620870
• Molecular Formula: C69H45N5Si
• Molecular Weight: 972.24 g/mol
• Exact Mass: 971.34
• IUPAC Name: [9-(4-carbazol-9-yl-6-tetraphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-1-yl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c4ccccc4n(-c4nc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)nc(-n5c6ccccc6c6ccccc65)n4)c23)cc1
• InChI: InChI=1S/C69H45N5Si/c1-4-23-47(24-5-1)75(48-25-6-2-7-26-48,49-27-8-3-9-28-49)65-42-22-38-60-59-37-18-21-41-64(59)74(66(60)65)69-71-67(70-68(72-69)73-62-39-19-16-35-57(62)58-36-17-20-40-63(58)73)46-43-44-56-54-33-13-12-31-52(54)50-29-10-11-30-51(50)53-32-14-15-34-55(53)61(56)45-46/h1-45H/b52-50-,53-51-,56-54-,61-55-
• InChIKey: QCSKZOFMGUZGHB-LARWVULXSA-N
• XLogP: 14.09
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.24
LogP ≤ 5	14.09
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 [9-(4-carbazol-9-yl-6-tetraphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-1-yl]-triphenylsilane?

The IUPAC name of [9-(4-carbazol-9-yl-6-tetraphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-1-yl]-triphenylsilane (CID 176620870) is [9-(4-carbazol-9-yl-6-tetraphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-1-yl]-triphenylsilane.

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

The canonical SMILES for [9-(4-carbazol-9-yl-6-tetraphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-1-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c4ccccc4n(-c4nc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)nc(-n5c6ccccc6c6ccccc65)n4)c23)cc1.

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

The InChIKey is QCSKZOFMGUZGHB-LARWVULXSA-N. The full InChI is InChI=1S/C69H45N5Si/c1-4-23-47(24-5-1)75(48-25-6-2-7-26-48,49-27-8-3-9-28-49)65-42-22-38-60-59-37-18-21-41-64(59)74(66(60)65)69-71-67(70-68(72-69)73-62-39-19-16-35-57(62)58-36-17-20-40-63(58)73)46-43-44-56-54-33-13-12-31-52(54)50-29-10-11-30-51(50)53-32-14-15-34-55(53)61(56)45-46/h1-45H/b52-50-,53-51-,56-54-,61-55-.

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

[9-(4-carbazol-9-yl-6-tetraphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-1-yl]-triphenylsilane has a molecular weight of 972.24 g/mol, XLogP of 14.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [9-(4-carbazol-9-yl-6-tetraphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-1-yl]-triphenylsilane is sourced from PubChem (CID 176620870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).