triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane

C60H42N2Si — CID 170515473

About triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane

triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane (PubChem CID 170515473) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane.

Molecular Properties

• Compound Name: triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
• PubChem CID: 170515473
• Molecular Formula: C60H42N2Si
• Molecular Weight: 819.10 g/mol
• Exact Mass: 818.31
• IUPAC Name: triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c(-c7ccccc7)c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)cc43)c2)cc1
• InChI: InChI=1S/C60H42N2Si/c1-6-21-43(22-7-1)45-25-20-26-46(41-45)62-54-35-18-16-33-51(54)52-38-37-47(42-57(52)62)61-55-36-19-17-34-53(55)60-56(61)39-40-58(59(60)44-23-8-2-9-24-44)63(48-27-10-3-11-28-48,49-29-12-4-13-30-49)50-31-14-5-15-32-50/h1-42H
• InChIKey: TXUCMNIZVYUPCO-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-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane?

The IUPAC name of triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane (CID 170515473) is triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane.

What is the SMILES notation for triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane?

The canonical SMILES for triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c(-c7ccccc7)c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)cc43)c2)cc1.

What is the InChIKey of triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane?

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

What are the key properties of triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane?

triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-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-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane is sourced from PubChem (CID 170515473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).