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

C71H50N4Si2 — CID 58556489

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

[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane (PubChem CID 58556489) has the molecular formula C71H50N4Si2 and a molecular weight of 1015.38 g/mol. Its IUPAC name is [9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
• PubChem CID: 58556489
• Molecular Formula: C71H50N4Si2
• Molecular Weight: 1015.38 g/mol
• Exact Mass: 1014.36
• IUPAC Name: [9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/C71H50N4Si2/c1-7-27-57(28-8-1)76(58-29-9-2-10-30-58,59-31-11-3-12-32-59)63-43-45-67-65(49-63)66-50-64(77(60-33-13-4-14-34-60,61-35-15-5-16-36-61)62-37-17-6-18-38-62)44-46-68(66)75(67)71-73-69(55-41-39-51-23-19-21-25-53(51)47-55)72-70(74-71)56-42-40-52-24-20-22-26-54(52)48-56/h1-50H
• InChIKey: IYHDBTWGENLIMO-UHFFFAOYSA-N
• XLogP: 11.36
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.38
LogP ≤ 5	11.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane?

The IUPAC name of [9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane (CID 58556489) is [9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane.

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

The canonical SMILES for [9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1.

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

The InChIKey is IYHDBTWGENLIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50N4Si2/c1-7-27-57(28-8-1)76(58-29-9-2-10-30-58,59-31-11-3-12-32-59)63-43-45-67-65(49-63)66-50-64(77(60-33-13-4-14-34-60,61-35-15-5-16-36-61)62-37-17-6-18-38-62)44-46-68(66)75(67)71-73-69(55-41-39-51-23-19-21-25-53(51)47-55)72-70(74-71)56-42-40-52-24-20-22-26-54(52)48-56/h1-50H.

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

[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane has a molecular weight of 1015.38 g/mol, XLogP of 11.36, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 58556489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).