[3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C59H48N4OSi — CID 171723602

About [3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 171723602) has the molecular formula C59H48N4OSi and a molecular weight of 857.15 g/mol. Its IUPAC name is [3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 171723602
• Molecular Formula: C59H48N4OSi
• Molecular Weight: 857.15 g/mol
• Exact Mass: 856.36
• IUPAC Name: [3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: CC1(C)CCC(C)(C)c2cc3c(cc21)c1ccccc1n3-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1
• InChI: InChI=1S/C59H48N4OSi/c1-58(2)33-34-59(3,4)50-38-52-48(37-49(50)58)45-27-14-16-29-51(45)63(52)57-61-55(60-56(62-57)40-31-32-47-46-28-15-17-30-53(46)64-54(47)36-40)39-19-18-26-44(35-39)65(41-20-8-5-9-21-41,42-22-10-6-11-23-42)43-24-12-7-13-25-43/h5-32,35-38H,33-34H2,1-4H3
• InChIKey: PAENVQXCFNYADO-UHFFFAOYSA-N
• XLogP: 11.93
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.15
LogP ≤ 5	11.93
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 [3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 171723602) is [3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is CC1(C)CCC(C)(C)c2cc3c(cc21)c1ccccc1n3-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1.

What is the InChIKey of [3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The InChIKey is PAENVQXCFNYADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48N4OSi/c1-58(2)33-34-59(3,4)50-38-52-48(37-49(50)58)45-27-14-16-29-51(45)63(52)57-61-55(60-56(62-57)40-31-32-47-46-28-15-17-30-53(46)64-54(47)36-40)39-19-18-26-44(35-39)65(41-20-8-5-9-21-41,42-22-10-6-11-23-42)43-24-12-7-13-25-43/h5-32,35-38H,33-34H2,1-4H3.

What are the key properties of [3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

[3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 857.15 g/mol, XLogP of 11.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-dibenzofuran-3-yl-6-(7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 171723602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).