triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane

C60H42N2Si — CID 170515505

About triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane

triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane (PubChem CID 170515505) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane
• PubChem CID: 170515505
• Molecular Formula: C60H42N2Si
• Molecular Weight: 819.10 g/mol
• Exact Mass: 818.31
• IUPAC Name: triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cc(-c7ccccc7)cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)c43)c2)cc1
• InChI: InChI=1S/C60H42N2Si/c1-6-22-43(23-7-1)45-26-20-27-47(40-45)61-55-37-18-16-34-51(55)53-36-21-39-57(59(53)61)62-56-38-19-17-35-52(56)54-41-46(44-24-8-2-9-25-44)42-58(60(54)62)63(48-28-10-3-11-29-48,49-30-12-4-13-31-49)50-32-14-5-15-33-50/h1-42H
• InChIKey: KNOPQAKYQIKFAZ-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-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane?

The IUPAC name of triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane (CID 170515505) is triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane.

What is the SMILES notation for triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane?

The canonical SMILES for triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane is c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cc(-c7ccccc7)cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)c43)c2)cc1.

What is the InChIKey of triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane?

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

What are the key properties of triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane?

triphenyl-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-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-[3-phenyl-9-[9-(3-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane is sourced from PubChem (CID 170515505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).