9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole

C69H46N6Si2 — CID 164757364

About 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole

9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole (PubChem CID 164757364) has the molecular formula C69H46N6Si2 and a molecular weight of 1015.34 g/mol. Its IUPAC name is 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole.

Molecular Properties

• Compound Name: 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole
• PubChem CID: 164757364
• Molecular Formula: C69H46N6Si2
• Molecular Weight: 1015.34 g/mol
• Exact Mass: 1014.33
• IUPAC Name: 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole
• SMILES: c1ccc([Si]2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c4c3)c3ccccc32)cc1
• InChI: InChI=1S/C69H46N6Si2/c1-4-24-47(25-5-1)76(48-26-6-2-7-27-48)63-40-20-22-42-65(63)77(49-28-8-3-9-29-49,66-43-23-21-41-64(66)76)50-44-45-56-55-34-14-19-39-61(55)75(62(56)46-50)69-71-67(73-57-35-15-10-30-51(57)52-31-11-16-36-58(52)73)70-68(72-69)74-59-37-17-12-32-53(59)54-33-13-18-38-60(54)74/h1-46H
• InChIKey: GHTWFNALZVKHTE-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.34
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole?

The IUPAC name of 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole (CID 164757364) is 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole.

What is the SMILES notation for 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole?

The canonical SMILES for 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole is c1ccc([Si]2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c4c3)c3ccccc32)cc1.

What is the InChIKey of 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole?

The InChIKey is GHTWFNALZVKHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N6Si2/c1-4-24-47(25-5-1)76(48-26-6-2-7-27-48)63-40-20-22-42-65(63)77(49-28-8-3-9-29-49,66-43-23-21-41-64(66)76)50-44-45-56-55-34-14-19-39-61(55)75(62(56)46-50)69-71-67(73-57-35-15-10-30-51(57)52-31-11-16-36-58(52)73)70-68(72-69)74-59-37-17-12-32-53(59)54-33-13-18-38-60(54)74/h1-46H.

What are the key properties of 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole?

9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole has a molecular weight of 1015.34 g/mol, XLogP of 10.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole is sourced from PubChem (CID 164757364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).