5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole

C55H30N4O2S — CID 164714660

About 5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole

5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 164714660) has the molecular formula C55H30N4O2S and a molecular weight of 810.94 g/mol. Its IUPAC name is 5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
• PubChem CID: 164714660
• Molecular Formula: C55H30N4O2S
• Molecular Weight: 810.94 g/mol
• Exact Mass: 810.21
• IUPAC Name: 5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2oc3ccccc3c2c1-c1nc(-c2cccc3oc4ccccc4c23)nc(-c2cccc3sc4ccccc4c23)n1
• InChI: InChI=1S/C55H30N4O2S/c1-2-14-32-30-42-39(29-31(32)13-1)33-15-3-7-21-40(33)59(42)41-27-28-46-51(35-17-5-9-23-44(35)61-46)52(41)55-57-53(37-19-11-24-45-49(37)34-16-4-8-22-43(34)60-45)56-54(58-55)38-20-12-26-48-50(38)36-18-6-10-25-47(36)62-48/h1-30H
• InChIKey: BVXMYNNOJPVFCK-UHFFFAOYSA-N
• XLogP: 15.29
• TPSA: 69.88 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.94
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?

The IUPAC name of 5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 164714660) is 5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?

The canonical SMILES for 5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2oc3ccccc3c2c1-c1nc(-c2cccc3oc4ccccc4c23)nc(-c2cccc3sc4ccccc4c23)n1.

What is the InChIKey of 5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?

The InChIKey is BVXMYNNOJPVFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4O2S/c1-2-14-32-30-42-39(29-31(32)13-1)33-15-3-7-21-40(33)59(42)41-27-28-46-51(35-17-5-9-23-44(35)61-46)52(41)55-57-53(37-19-11-24-45-49(37)34-16-4-8-22-43(34)60-45)56-54(58-55)38-20-12-26-48-50(38)36-18-6-10-25-47(36)62-48/h1-30H.

What are the key properties of 5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?

5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 810.94 g/mol, XLogP of 15.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 164714660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).