[4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane

C84H56N4Si — CID 177114968

About [4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane

[4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane (PubChem CID 177114968) has the molecular formula C84H56N4Si and a molecular weight of 1149.49 g/mol. Its IUPAC name is [4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane
• PubChem CID: 177114968
• Molecular Formula: C84H56N4Si
• Molecular Weight: 1149.49 g/mol
• Exact Mass: 1148.43
• IUPAC Name: [4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)c(-c3cc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C84H56N4Si/c1-4-28-57(29-5-1)89(58-30-6-2-7-31-58,59-32-8-3-9-33-59)60-52-53-82(86-75-45-21-12-36-63(75)64-37-13-22-46-76(64)86)70(54-60)72-56-83(87-77-47-23-14-38-65(77)66-39-15-24-48-78(66)87)71(55-84(72)88-79-49-25-16-40-67(79)68-41-17-26-50-80(68)88)69-42-18-27-51-81(69)85-73-43-19-10-34-61(73)62-35-11-20-44-74(62)85/h1-56H
• InChIKey: DHDLBWADDBGMLL-UHFFFAOYSA-N
• XLogP: 18.79
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1149.49
LogP ≤ 5	18.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 [4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane?

The IUPAC name of [4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane (CID 177114968) is [4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane?

The canonical SMILES for [4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)c(-c3cc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3-n3c4ccccc4c4ccccc43)c2)cc1.

What is the InChIKey of [4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane?

The InChIKey is DHDLBWADDBGMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N4Si/c1-4-28-57(29-5-1)89(58-30-6-2-7-31-58,59-32-8-3-9-33-59)60-52-53-82(86-75-45-21-12-36-63(75)64-37-13-22-46-76(64)86)70(54-60)72-56-83(87-77-47-23-14-38-65(77)66-39-15-24-48-78(66)87)71(55-84(72)88-79-49-25-16-40-67(79)68-41-17-26-50-80(68)88)69-42-18-27-51-81(69)85-73-43-19-10-34-61(73)62-35-11-20-44-74(62)85/h1-56H.

What are the key properties of [4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane?

[4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane has a molecular weight of 1149.49 g/mol, XLogP of 18.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 177114968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).