4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine

C62H38N2O2 — CID 176609549

About 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine

4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine (PubChem CID 176609549) has the molecular formula C62H38N2O2 and a molecular weight of 843.00 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine.

Molecular Properties

• Compound Name: 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
• PubChem CID: 176609549
• Molecular Formula: C62H38N2O2
• Molecular Weight: 843.00 g/mol
• Exact Mass: 842.29
• IUPAC Name: 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
• SMILES: c1cc(-c2cc(N(c3ccccc3-c3cccc4oc5ccccc5c34)c3cc4ccccc4c4ccccc34)cc3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C62H38N2O2/c1-2-20-43-40(17-1)36-57(45-22-4-3-21-44(43)45)64(56-31-12-7-25-48(56)50-28-16-34-60-61(50)51-27-9-14-33-59(51)65-60)42-37-52(62-53(38-42)49-26-8-13-32-58(49)66-62)39-18-15-19-41(35-39)63-54-29-10-5-23-46(54)47-24-6-11-30-55(47)63/h1-38H
• InChIKey: YRONYMXCVPWKMU-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 34.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.00
LogP ≤ 5	17.69
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-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine?

The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine (CID 176609549) is 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine.

What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine?

The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine is c1cc(-c2cc(N(c3ccccc3-c3cccc4oc5ccccc5c34)c3cc4ccccc4c4ccccc34)cc3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine?

The InChIKey is YRONYMXCVPWKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2O2/c1-2-20-43-40(17-1)36-57(45-22-4-3-21-44(43)45)64(56-31-12-7-25-48(56)50-28-16-34-60-61(50)51-27-9-14-33-59(51)65-60)42-37-52(62-53(38-42)49-26-8-13-32-58(49)66-62)39-18-15-19-41(35-39)63-54-29-10-5-23-46(54)47-24-6-11-30-55(47)63/h1-38H.

What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine?

4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine has a molecular weight of 843.00 g/mol, XLogP of 17.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine is sourced from PubChem (CID 176609549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).