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

C64H40N2O2 — CID 176607817

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

4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine (PubChem CID 176607817) has the molecular formula C64H40N2O2 and a molecular weight of 869.04 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

• Compound Name: 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
• PubChem CID: 176607817
• Molecular Formula: C64H40N2O2
• Molecular Weight: 869.04 g/mol
• Exact Mass: 868.31
• IUPAC Name: 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
• SMILES: c1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(oc4ccccc43)c2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
• InChI: InChI=1S/C64H40N2O2/c1-2-15-43-38-44(31-30-41(43)14-1)42-32-34-47(35-33-42)65(48-18-11-16-45(39-48)50-24-13-29-61-63(50)55-23-6-10-28-60(55)67-61)58-37-36-54-53-22-5-9-27-59(53)68-64(54)62(58)46-17-12-19-49(40-46)66-56-25-7-3-20-51(56)52-21-4-8-26-57(52)66/h1-40H
• InChIKey: RHEMYPBAFDULTE-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 34.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.04
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine?

The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine (CID 176607817) is 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine.

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

The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine is c1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(oc4ccccc43)c2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.

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

The InChIKey is RHEMYPBAFDULTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O2/c1-2-15-43-38-44(31-30-41(43)14-1)42-32-34-47(35-33-42)65(48-18-11-16-45(39-48)50-24-13-29-61-63(50)55-23-6-10-28-60(55)67-61)58-37-36-54-53-22-5-9-27-59(53)68-64(54)62(58)46-17-12-19-49(40-46)66-56-25-7-3-20-51(56)52-21-4-8-26-57(52)66/h1-40H.

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

4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine has a molecular weight of 869.04 g/mol, XLogP of 18.21, 7 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-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 176607817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).