triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane

C60H42N2Si — CID 170516312

About triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane

triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane (PubChem CID 170516312) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane.

Molecular Properties

• Compound Name: triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
• PubChem CID: 170516312
• Molecular Formula: C60H42N2Si
• Molecular Weight: 819.10 g/mol
• Exact Mass: 818.31
• IUPAC Name: triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
• SMILES: c1ccc(-c2ccc(-n3c4cc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)ccc4c4cccc(-c5ccccc5)c43)cc2)cc1
• InChI: InChI=1S/C60H42N2Si/c1-6-19-43(20-7-1)44-33-35-46(36-34-44)62-58-41-47(37-39-55(58)56-31-18-30-52(60(56)62)45-21-8-2-9-22-45)61-57-32-17-16-29-53(57)54-40-38-51(42-59(54)61)63(48-23-10-3-11-24-48,49-25-12-4-13-26-49)50-27-14-5-15-28-50/h1-42H
• InChIKey: NQNYMFQIMIWZQZ-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-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane?

The IUPAC name of triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane (CID 170516312) is triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane.

What is the SMILES notation for triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane?

The canonical SMILES for triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane is c1ccc(-c2ccc(-n3c4cc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc65)ccc4c4cccc(-c5ccccc5)c43)cc2)cc1.

What is the InChIKey of triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane?

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

What are the key properties of triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane?

triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-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-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane is sourced from PubChem (CID 170516312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).