N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine

C78H53N3OSi — CID 140702750

About N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine

N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 140702750) has the molecular formula C78H53N3OSi and a molecular weight of 1076.39 g/mol. Its IUPAC name is N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine
• PubChem CID: 140702750
• Molecular Formula: C78H53N3OSi
• Molecular Weight: 1076.39 g/mol
• Exact Mass: 1075.40
• IUPAC Name: N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc(-c4cccc5c4oc4ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc45)c3)c2)cc1
• InChI: InChI=1S/C78H53N3OSi/c1-4-24-62(25-5-1)83(63-26-6-2-7-27-63,64-28-8-3-9-29-64)65-30-19-22-55(52-65)54-21-18-23-56(51-54)66-35-20-36-71-72-53-61(49-50-77(72)82-78(66)71)79(57-41-45-59(46-42-57)80-73-37-14-10-31-67(73)68-32-11-15-38-74(68)80)58-43-47-60(48-44-58)81-75-39-16-12-33-69(75)70-34-13-17-40-76(70)81/h1-53H
• InChIKey: CQPDPHQAQRRCFN-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 26.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1076.39
LogP ≤ 5	17.96
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 N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine?

The IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine (CID 140702750) is N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine.

What is the SMILES notation for N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine?

The canonical SMILES for N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc(-c4cccc5c4oc4ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc45)c3)c2)cc1.

What is the InChIKey of N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine?

The InChIKey is CQPDPHQAQRRCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H53N3OSi/c1-4-24-62(25-5-1)83(63-26-6-2-7-27-63,64-28-8-3-9-29-64)65-30-19-22-55(52-65)54-21-18-23-56(51-54)66-35-20-36-71-72-53-61(49-50-77(72)82-78(66)71)79(57-41-45-59(46-42-57)80-73-37-14-10-31-67(73)68-32-11-15-38-74(68)80)58-43-47-60(48-44-58)81-75-39-16-12-33-69(75)70-34-13-17-40-76(70)81/h1-53H.

What are the key properties of N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine?

N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine has a molecular weight of 1076.39 g/mol, XLogP of 17.96, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-carbazol-9-ylphenyl)-6-[3-(3-triphenylsilylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 140702750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).