2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline

C58H36N2OS — CID 167330444

About 2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline

2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline (PubChem CID 167330444) has the molecular formula C58H36N2OS and a molecular weight of 809.01 g/mol. Its IUPAC name is 2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
• PubChem CID: 167330444
• Molecular Formula: C58H36N2OS
• Molecular Weight: 809.01 g/mol
• Exact Mass: 808.25
• IUPAC Name: 2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
• SMILES: c1ccc(-n2c3ccccc3c3ccccc32)c(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccc(-c3cccc4oc5c6ccccc6ccc5c34)cc2)c1
• InChI: InChI=1S/C58H36N2OS/c1-2-13-44-38(12-1)28-35-49-57-43(17-11-22-54(57)61-58(44)49)39-26-32-42(33-27-39)59(41-30-24-37(25-31-41)40-29-34-48-47-16-5-10-23-55(47)62-56(48)36-40)52-20-8-9-21-53(52)60-50-18-6-3-14-45(50)46-15-4-7-19-51(46)60/h1-36H
• InChIKey: RXWJMSZRSVLLQI-UHFFFAOYSA-N
• XLogP: 17.01
• TPSA: 21.31 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.01
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?

The IUPAC name of 2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline (CID 167330444) is 2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline.

What is the SMILES notation for 2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?

The canonical SMILES for 2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline is c1ccc(-n2c3ccccc3c3ccccc32)c(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccc(-c3cccc4oc5c6ccccc6ccc5c34)cc2)c1.

What is the InChIKey of 2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?

The InChIKey is RXWJMSZRSVLLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2OS/c1-2-13-44-38(12-1)28-35-49-57-43(17-11-22-54(57)61-58(44)49)39-26-32-42(33-27-39)59(41-30-24-37(25-31-41)40-29-34-48-47-16-5-10-23-55(47)62-56(48)36-40)52-20-8-9-21-53(52)60-50-18-6-3-14-45(50)46-15-4-7-19-51(46)60/h1-36H.

What are the key properties of 2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?

2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline has a molecular weight of 809.01 g/mol, XLogP of 17.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline is sourced from PubChem (CID 167330444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).