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

C64H40N2O2 — CID 176609179

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

4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine (PubChem CID 176609179) has the molecular formula C64H40N2O2 and a molecular weight of 869.04 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

• Compound Name: 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
• PubChem CID: 176609179
• Molecular Formula: C64H40N2O2
• Molecular Weight: 869.04 g/mol
• Exact Mass: 868.31
• IUPAC Name: 4-(2-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-c2ccccc2-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C64H40N2O2/c1-2-16-43-39-44(32-31-41(43)15-1)42-33-35-46(36-34-42)65(47-18-13-17-45(40-47)48-24-14-30-61-62(48)54-23-7-12-29-60(54)67-61)58-38-37-52-51-21-6-11-28-59(51)68-64(52)63(58)53-22-5-10-27-57(53)66-55-25-8-3-19-49(55)50-20-4-9-26-56(50)66/h1-40H
• InChIKey: JFLHLXULNKAUGE-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-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine?

The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine (CID 176609179) is 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine.

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

The canonical SMILES for 4-(2-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-c2ccccc2-n2c3ccccc3c3ccccc32)c1.

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

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

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

4-(2-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-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 176609179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).