4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline

C78H48N2OS — CID 89492073

About 4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline

4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline (PubChem CID 89492073) has the molecular formula C78H48N2OS and a molecular weight of 1061.32 g/mol. Its IUPAC name is 4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline.

Molecular Properties

• Compound Name: 4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline
• PubChem CID: 89492073
• Molecular Formula: C78H48N2OS
• Molecular Weight: 1061.32 g/mol
• Exact Mass: 1060.35
• IUPAC Name: 4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline
• SMILES: c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
• InChI: InChI=1S/C78H48N2OS/c1-2-13-56(14-3-1)79(58-38-31-52(32-39-58)60-21-12-24-77-78(60)67-20-9-11-23-76(67)82-77)57-36-29-51(30-37-57)54-34-43-73-70(46-54)69-45-53(49-25-27-50(28-26-49)55-35-44-75-71(47-55)66-19-8-10-22-74(66)81-75)33-42-72(69)80(73)59-40-41-65-63-17-5-4-15-61(63)62-16-6-7-18-64(62)68(65)48-59/h1-48H
• InChIKey: JCMDRBZSARSORT-UHFFFAOYSA-N
• XLogP: 22.65
• TPSA: 21.31 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.32
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline?

The IUPAC name of 4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline (CID 89492073) is 4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline.

What is the SMILES notation for 4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline?

The canonical SMILES for 4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1.

What is the InChIKey of 4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline?

The InChIKey is JCMDRBZSARSORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N2OS/c1-2-13-56(14-3-1)79(58-38-31-52(32-39-58)60-21-12-24-77-78(60)67-20-9-11-23-76(67)82-77)57-36-29-51(30-37-57)54-34-43-73-70(46-54)69-45-53(49-25-27-50(28-26-49)55-35-44-75-71(47-55)66-19-8-10-22-74(66)81-75)33-42-72(69)80(73)59-40-41-65-63-17-5-4-15-61(63)62-16-6-7-18-64(62)68(65)48-59/h1-48H.

What are the key properties of 4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline?

4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline has a molecular weight of 1061.32 g/mol, XLogP of 22.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(4-dibenzofuran-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 89492073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).