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

C64H40N2OS — CID 176608516

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

4-(2-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine (PubChem CID 176608516) has the molecular formula C64H40N2OS and a molecular weight of 885.10 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

• Compound Name: 4-(2-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
• PubChem CID: 176608516
• Molecular Formula: C64H40N2OS
• Molecular Weight: 885.10 g/mol
• Exact Mass: 884.29
• IUPAC Name: 4-(2-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
• SMILES: c1cc(-c2cccc3ccccc23)cc(N(c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)c2ccccc2-c2ccc3sc4ccccc4c3c2)c1
• InChI: InChI=1S/C64H40N2OS/c1-2-21-46-41(17-1)18-16-28-47(46)42-19-15-20-44(37-42)65(57-29-9-3-22-48(57)43-35-36-63-54(38-43)53-27-8-14-34-62(53)68-63)45-39-55(64-56(40-45)52-26-7-13-33-61(52)67-64)51-25-6-12-32-60(51)66-58-30-10-4-23-49(58)50-24-5-11-31-59(50)66/h1-40H
• InChIKey: RZXIMCGZGRDSTD-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 21.31 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.10
LogP ≤ 5	18.67
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-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine?

The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine (CID 176608516) is 4-(2-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine.

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

The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine is c1cc(-c2cccc3ccccc23)cc(N(c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)c2ccccc2-c2ccc3sc4ccccc4c3c2)c1.

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

The InChIKey is RZXIMCGZGRDSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2OS/c1-2-21-46-41(17-1)18-16-28-47(46)42-19-15-20-44(37-42)65(57-29-9-3-22-48(57)43-35-36-63-54(38-43)53-27-8-14-34-62(53)68-63)45-39-55(64-56(40-45)52-26-7-13-33-61(52)67-64)51-25-6-12-32-60(51)66-58-30-10-4-23-49(58)50-24-5-11-31-59(50)66/h1-40H.

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

4-(2-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine has a molecular weight of 885.10 g/mol, XLogP of 18.67, 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-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176608516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).