triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane

C64H44N4Si — CID 140762170

About triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane

triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 140762170) has the molecular formula C64H44N4Si and a molecular weight of 897.17 g/mol. Its IUPAC name is triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 140762170
• Molecular Formula: C64H44N4Si
• Molecular Weight: 897.17 g/mol
• Exact Mass: 896.33
• IUPAC Name: triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc43)n2)cc1
• InChI: InChI=1S/C64H44N4Si/c1-6-23-45(24-7-1)61-65-62(46-25-22-34-52(43-46)69(49-28-10-3-11-29-49,50-30-12-4-13-31-50)51-32-14-5-15-33-51)67-63(66-61)68-59-40-21-18-37-55(59)56-42-41-48(44-60(56)68)64(47-26-8-2-9-27-47)57-38-19-16-35-53(57)54-36-17-20-39-58(54)64/h1-44H
• InChIKey: MKFIQBIEBSQVCJ-UHFFFAOYSA-N
• XLogP: 12.04
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.17
LogP ≤ 5	12.04
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 triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane (CID 140762170) is triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane.

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

The canonical SMILES for triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane is c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc43)n2)cc1.

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

The InChIKey is MKFIQBIEBSQVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4Si/c1-6-23-45(24-7-1)61-65-62(46-25-22-34-52(43-46)69(49-28-10-3-11-29-49,50-30-12-4-13-31-50)51-32-14-5-15-33-51)67-63(66-61)68-59-40-21-18-37-55(59)56-42-41-48(44-60(56)68)64(47-26-8-2-9-27-47)57-38-19-16-35-53(57)54-36-17-20-39-58(54)64/h1-44H.

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

triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 897.17 g/mol, XLogP of 12.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 140762170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).