2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

C49H34N4OS — CID 167001737

About 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 167001737) has the molecular formula C49H34N4OS and a molecular weight of 726.91 g/mol. Its IUPAC name is 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

• Compound Name: 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
• PubChem CID: 167001737
• Molecular Formula: C49H34N4OS
• Molecular Weight: 726.91 g/mol
• Exact Mass: 726.25
• IUPAC Name: 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
• SMILES: CCCCc1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6ccccc67)n5)c4c3)cc12
• InChI: InChI=1S/C49H34N4OS/c1-2-3-12-30-21-24-36-40-28-32(23-26-43(40)54-44(36)27-30)33-22-25-35-34-15-7-9-19-41(34)53(42(35)29-33)49-51-47(31-13-5-4-6-14-31)50-48(52-49)39-18-11-17-38-37-16-8-10-20-45(37)55-46(38)39/h4-11,13-29H,2-3,12H2,1H3
• InChIKey: GHKSSSRUAQERNW-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.91
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?

The IUPAC name of 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (CID 167001737) is 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.

What is the SMILES notation for 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?

The canonical SMILES for 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is CCCCc1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6ccccc67)n5)c4c3)cc12.

What is the InChIKey of 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?

The InChIKey is GHKSSSRUAQERNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4OS/c1-2-3-12-30-21-24-36-40-28-32(23-26-43(40)54-44(36)27-30)33-22-25-35-34-15-7-9-19-41(34)53(42(35)29-33)49-51-47(31-13-5-4-6-14-31)50-48(52-49)39-18-11-17-38-37-16-8-10-20-45(37)55-46(38)39/h4-11,13-29H,2-3,12H2,1H3.

What are the key properties of 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?

2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 726.91 g/mol, XLogP of 13.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 167001737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).