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

C75H48N6OSi — CID 169282082

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

[3-[4-dibenzofuran-1-yl-6-[2,6-di(carbazol-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 169282082) has the molecular formula C75H48N6OSi and a molecular weight of 1077.34 g/mol. Its IUPAC name is [3-[4-dibenzofuran-1-yl-6-[2,6-di(carbazol-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-dibenzofuran-1-yl-6-[2,6-di(carbazol-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 169282082
• Molecular Formula: C75H48N6OSi
• Molecular Weight: 1077.34 g/mol
• Exact Mass: 1076.37
• IUPAC Name: [3-[4-dibenzofuran-1-yl-6-[2,6-di(carbazol-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)n3)c2)cc1
• InChI: InChI=1S/C75H48N6OSi/c1-4-23-52(24-5-1)83(53-25-6-2-7-26-53,54-27-8-3-9-28-54)55-29-20-22-49(46-55)73-76-74(62-35-21-41-71-72(62)61-34-14-19-40-70(61)82-71)78-75(77-73)81-68-45-43-50(79-64-36-15-10-30-56(64)57-31-11-16-37-65(57)79)47-63(68)60-44-42-51(48-69(60)81)80-66-38-17-12-32-58(66)59-33-13-18-39-67(59)80/h1-48H
• InChIKey: WFGOMFQZZSBOJJ-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 66.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1077.34
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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

The IUPAC name of [3-[4-dibenzofuran-1-yl-6-[2,6-di(carbazol-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 169282082) is [3-[4-dibenzofuran-1-yl-6-[2,6-di(carbazol-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-dibenzofuran-1-yl-6-[2,6-di(carbazol-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)n3)c2)cc1.

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

The InChIKey is WFGOMFQZZSBOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N6OSi/c1-4-23-52(24-5-1)83(53-25-6-2-7-26-53,54-27-8-3-9-28-54)55-29-20-22-49(46-55)73-76-74(62-35-21-41-71-72(62)61-34-14-19-40-70(61)82-71)78-75(77-73)81-68-45-43-50(79-64-36-15-10-30-56(64)57-31-11-16-37-65(57)79)47-63(68)60-44-42-51(48-69(60)81)80-66-38-17-12-32-58(66)59-33-13-18-39-67(59)80/h1-48H.

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

[3-[4-dibenzofuran-1-yl-6-[2,6-di(carbazol-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 1077.34 g/mol, XLogP of 15.77, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-dibenzofuran-1-yl-6-[2,6-di(carbazol-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 169282082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).