triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane

C82H56N6Si — CID 168842514

About triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane

triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane (PubChem CID 168842514) has the molecular formula C82H56N6Si and a molecular weight of 1153.48 g/mol. Its IUPAC name is triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane.

Molecular Properties

• Compound Name: triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane
• PubChem CID: 168842514
• Molecular Formula: C82H56N6Si
• Molecular Weight: 1153.48 g/mol
• Exact Mass: 1152.43
• IUPAC Name: triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane
• SMILES: c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)nc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)n4)c23)cc1
• InChI: InChI=1S/C82H56N6Si/c1-8-28-58(29-9-1)82(59-30-10-2-11-31-59,60-32-12-3-13-33-60)61-50-48-57(49-51-61)79-83-80(85-81(84-79)88-73-46-26-23-43-68(73)70-54-55-75-77(78(70)88)71-44-24-27-47-74(71)86(75)62-34-14-4-15-35-62)87-72-45-25-22-42-67(72)69-53-52-66(56-76(69)87)89(63-36-16-5-17-37-63,64-38-18-6-19-39-64)65-40-20-7-21-41-65/h1-56H
• InChIKey: RMXBBDCHUMXLGG-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1153.48
LogP ≤ 5	16.59
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 triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane?

The IUPAC name of triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane (CID 168842514) is triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane.

What is the SMILES notation for triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane?

The canonical SMILES for triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane is c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)nc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)n4)c23)cc1.

What is the InChIKey of triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane?

The InChIKey is RMXBBDCHUMXLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N6Si/c1-8-28-58(29-9-1)82(59-30-10-2-11-31-59,60-32-12-3-13-33-60)61-50-48-57(49-51-61)79-83-80(85-81(84-79)88-73-46-26-23-43-68(73)70-54-55-75-77(78(70)88)71-44-24-27-47-74(71)86(75)62-34-14-4-15-35-62)87-72-45-25-22-42-67(72)69-53-52-66(56-76(69)87)89(63-36-16-5-17-37-63,64-38-18-6-19-39-64)65-40-20-7-21-41-65/h1-56H.

What are the key properties of triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane?

triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane has a molecular weight of 1153.48 g/mol, XLogP of 16.59, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[9-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]silane is sourced from PubChem (CID 168842514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).