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

C87H60N6Si2 — CID 176643464

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

[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 176643464) has the molecular formula C87H60N6Si2 and a molecular weight of 1245.65 g/mol. Its IUPAC name is [3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 176643464
• Molecular Formula: C87H60N6Si2
• Molecular Weight: 1245.65 g/mol
• Exact Mass: 1244.44
• IUPAC Name: [3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2)cc1
• InChI: InChI=1S/C87H60N6Si2/c1-7-31-65(32-8-1)94(66-33-9-2-10-34-66,67-35-11-3-12-36-67)71-43-27-29-61(57-71)85-88-86(62-30-28-44-72(58-62)95(68-37-13-4-14-38-68,69-39-15-5-16-40-69)70-41-17-6-18-42-70)90-87(89-85)93-83-55-53-63(91-79-49-23-19-45-73(79)74-46-20-24-50-80(74)91)59-77(83)78-60-64(54-56-84(78)93)92-81-51-25-21-47-75(81)76-48-22-26-52-82(76)92/h1-60H
• InChIKey: IHTDDCPSNBQIQQ-UHFFFAOYSA-N
• XLogP: 15.25
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1245.65
LogP ≤ 5	15.25
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-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 176643464) is [3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2)cc1.

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

The InChIKey is IHTDDCPSNBQIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H60N6Si2/c1-7-31-65(32-8-1)94(66-33-9-2-10-34-66,67-35-11-3-12-36-67)71-43-27-29-61(57-71)85-88-86(62-30-28-44-72(58-62)95(68-37-13-4-14-38-68,69-39-15-5-16-40-69)70-41-17-6-18-42-70)90-87(89-85)93-83-55-53-63(91-79-49-23-19-45-73(79)74-46-20-24-50-80(74)91)59-77(83)78-60-64(54-56-84(78)93)92-81-51-25-21-47-75(81)76-48-22-26-52-82(76)92/h1-60H.

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

[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 1245.65 g/mol, XLogP of 15.25, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 176643464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).