triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane

C60H42N2Si — CID 170515899

About triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane

triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane (PubChem CID 170515899) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane.

Molecular Properties

• Compound Name: triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane
• PubChem CID: 170515899
• Molecular Formula: C60H42N2Si
• Molecular Weight: 819.10 g/mol
• Exact Mass: 818.31
• IUPAC Name: triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane
• SMILES: c1ccc(-c2ccccc2-c2ccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)cccc43)cc2)cc1
• InChI: InChI=1S/C60H42N2Si/c1-5-20-43(21-6-1)50-28-13-14-29-51(50)44-36-38-45(39-37-44)61-56-33-18-16-31-54(56)60-57(61)34-19-35-58(60)62-55-32-17-15-30-52(55)53-41-40-49(42-59(53)62)63(46-22-7-2-8-23-46,47-24-9-3-10-25-47)48-26-11-4-12-27-48/h1-42H
• InChIKey: CWXDTWJERFDMQK-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.10
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane?

The IUPAC name of triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane (CID 170515899) is triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane.

What is the SMILES notation for triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane?

The canonical SMILES for triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane is c1ccc(-c2ccccc2-c2ccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)cccc43)cc2)cc1.

What is the InChIKey of triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane?

The InChIKey is CWXDTWJERFDMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-5-20-43(21-6-1)50-28-13-14-29-51(50)44-36-38-45(39-37-44)61-56-33-18-16-31-54(56)60-57(61)34-19-35-58(60)62-55-32-17-15-30-52(55)53-41-40-49(42-59(53)62)63(46-22-7-2-8-23-46,47-24-9-3-10-25-47)48-26-11-4-12-27-48/h1-42H.

What are the key properties of triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane?

triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane has a molecular weight of 819.10 g/mol, XLogP of 12.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane is sourced from PubChem (CID 170515899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).