4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine

C68H42N2O2 — CID 176609409

About 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine

4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine (PubChem CID 176609409) has the molecular formula C68H42N2O2 and a molecular weight of 919.10 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

• Compound Name: 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
• PubChem CID: 176609409
• Molecular Formula: C68H42N2O2
• Molecular Weight: 919.10 g/mol
• Exact Mass: 918.32
• IUPAC Name: 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
• SMILES: c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3c2oc2ccccc23)c1
• InChI: InChI=1S/C68H42N2O2/c1-2-17-48-45(16-1)42-59(51-19-4-3-18-50(48)51)44-34-38-47(39-35-44)69(46-36-32-43(33-37-46)49-25-15-26-56-55-23-8-13-30-64(55)71-67(49)56)63-41-40-57(68-66(63)58-24-9-14-31-65(58)72-68)54-22-7-12-29-62(54)70-60-27-10-5-20-52(60)53-21-6-11-28-61(53)70/h1-42H
• InChIKey: SCHDNEIADAEDJJ-UHFFFAOYSA-N
• XLogP: 19.36
• TPSA: 34.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.10
LogP ≤ 5	19.36
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-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine?

The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine (CID 176609409) is 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine.

What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine?

The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3c2oc2ccccc23)c1.

What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine?

The InChIKey is SCHDNEIADAEDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N2O2/c1-2-17-48-45(16-1)42-59(51-19-4-3-18-50(48)51)44-34-38-47(39-35-44)69(46-36-32-43(33-37-46)49-25-15-26-56-55-23-8-13-30-64(55)71-67(49)56)63-41-40-57(68-66(63)58-24-9-14-31-65(58)72-68)54-22-7-12-29-62(54)70-60-27-10-5-20-52(60)53-21-6-11-28-61(53)70/h1-42H.

What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine?

4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine has a molecular weight of 919.10 g/mol, XLogP of 19.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176609409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).