triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane

C60H42N2Si — CID 170515164

About triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane

triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane (PubChem CID 170515164) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane.

Molecular Properties

• Compound Name: triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane
• PubChem CID: 170515164
• Molecular Formula: C60H42N2Si
• Molecular Weight: 819.10 g/mol
• Exact Mass: 818.31
• IUPAC Name: triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane
• SMILES: c1ccc(-c2ccccc2-n2c3ccccc3c3c(-n4c5ccccc5c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c54)ccc(-c4ccccc4)c32)cc1
• InChI: InChI=1S/C60H42N2Si/c1-6-23-43(24-7-1)48-33-16-19-37-53(48)61-55-39-21-18-35-52(55)58-56(42-41-49(60(58)61)44-25-8-2-9-26-44)62-54-38-20-17-34-50(54)51-36-22-40-57(59(51)62)63(45-27-10-3-11-28-45,46-29-12-4-13-30-46)47-31-14-5-15-32-47/h1-42H
• InChIKey: JBRGASZDYUKLRE-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-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane?

The IUPAC name of triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane (CID 170515164) is triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane.

What is the SMILES notation for triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane?

The canonical SMILES for triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane is c1ccc(-c2ccccc2-n2c3ccccc3c3c(-n4c5ccccc5c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c54)ccc(-c4ccccc4)c32)cc1.

What is the InChIKey of triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane?

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

What are the key properties of triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane?

triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-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-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane is sourced from PubChem (CID 170515164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).