triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane

C66H45N3Si — CID 170516502

About triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane

triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane (PubChem CID 170516502) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane.

Molecular Properties

• Compound Name: triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
• PubChem CID: 170516502
• Molecular Formula: C66H45N3Si
• Molecular Weight: 908.19 g/mol
• Exact Mass: 907.34
• IUPAC Name: triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
• SMILES: c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C66H45N3Si/c1-6-20-46(21-7-1)47-34-38-57-55-30-16-18-32-61(55)69(66(57)42-47)50-36-40-64-59(44-50)60-45-54(70(51-24-10-3-11-25-51,52-26-12-4-13-27-52)53-28-14-5-15-29-53)37-41-65(60)68(64)49-35-39-63-58(43-49)56-31-17-19-33-62(56)67(63)48-22-8-2-9-23-48/h1-45H
• InChIKey: RANZYBQPSHZNLZ-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.19
LogP ≤ 5	14.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane?

The IUPAC name of triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane (CID 170516502) is triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane.

What is the SMILES notation for triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane?

The canonical SMILES for triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane is c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3c2)cc1.

What is the InChIKey of triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane?

The InChIKey is RANZYBQPSHZNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-6-20-46(21-7-1)47-34-38-57-55-30-16-18-32-61(55)69(66(57)42-47)50-36-40-64-59(44-50)60-45-54(70(51-24-10-3-11-25-51,52-26-12-4-13-27-52)53-28-14-5-15-29-53)37-41-65(60)68(64)49-35-39-63-58(43-49)56-31-17-19-33-62(56)67(63)48-22-8-2-9-23-48/h1-45H.

What are the key properties of triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane?

triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane has a molecular weight of 908.19 g/mol, XLogP of 14.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane is sourced from PubChem (CID 170516502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).