triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane

C84H60N2Si2 — CID 171457989

About triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane

triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane (PubChem CID 171457989) has the molecular formula C84H60N2Si2 and a molecular weight of 1153.59 g/mol. Its IUPAC name is triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane.

Molecular Properties

• Compound Name: triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane
• PubChem CID: 171457989
• Molecular Formula: C84H60N2Si2
• Molecular Weight: 1153.59 g/mol
• Exact Mass: 1152.43
• IUPAC Name: triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3cccc(-n4c5ccc(-n6c7ccccc7c7cc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)ccc76)cc5c5c(-c6ccccc6)cccc54)c3)c2)cc1
• InChI: InChI=1S/C84H60N2Si2/c1-8-28-61(29-9-1)64-34-24-45-72(56-64)88(71-43-20-7-21-44-71,73-46-25-35-65(57-73)62-30-10-2-11-31-62)74-47-26-36-66(58-74)86-82-54-52-67(59-79(82)84-76(49-27-51-83(84)86)63-32-12-3-13-33-63)85-80-50-23-22-48-77(80)78-60-75(53-55-81(78)85)87(68-37-14-4-15-38-68,69-39-16-5-17-40-69)70-41-18-6-19-42-70/h1-60H
• InChIKey: AXHVVLDNFOVFKQ-UHFFFAOYSA-N
• XLogP: 15.64
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1153.59
LogP ≤ 5	15.64
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-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane?

The IUPAC name of triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane (CID 171457989) is triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane.

What is the SMILES notation for triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane?

The canonical SMILES for triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3cccc(-n4c5ccc(-n6c7ccccc7c7cc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)ccc76)cc5c5c(-c6ccccc6)cccc54)c3)c2)cc1.

What is the InChIKey of triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane?

The InChIKey is AXHVVLDNFOVFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H60N2Si2/c1-8-28-61(29-9-1)64-34-24-45-72(56-64)88(71-43-20-7-21-44-71,73-46-25-35-65(57-73)62-30-10-2-11-31-62)74-47-26-36-66(58-74)86-82-54-52-67(59-79(82)84-76(49-27-51-83(84)86)63-32-12-3-13-33-63)85-80-50-23-22-48-77(80)78-60-75(53-55-81(78)85)87(68-37-14-4-15-38-68,69-39-16-5-17-40-69)70-41-18-6-19-42-70/h1-60H.

What are the key properties of triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane?

triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane has a molecular weight of 1153.59 g/mol, XLogP of 15.64, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane is sourced from PubChem (CID 171457989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).