8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane

C58H38N4O3 — CID 142569627

About 8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane

8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane (PubChem CID 142569627) has the molecular formula C58H38N4O3 and a molecular weight of 838.97 g/mol. Its IUPAC name is 8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane.

Molecular Properties

• Compound Name: 8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
• PubChem CID: 142569627
• Molecular Formula: C58H38N4O3
• Molecular Weight: 838.97 g/mol
• Exact Mass: 838.29
• IUPAC Name: 8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
• SMILES: CCC.c1ccc2c(c1)ccc1c2c2cccc(-c3ccc4oc5ccccc5c4c3)c2n1-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2ccccc23)n1
• InChI: InChI=1S/C55H30N4O3.C3H8/c1-2-11-35-31(10-1)22-26-44-51(35)42-16-9-15-36(32-23-27-48-43(28-32)39-14-5-8-19-47(39)60-48)52(42)59(44)55-57-53(33-20-24-40-37-12-3-6-17-45(37)61-49(40)29-33)56-54(58-55)34-21-25-41-38-13-4-7-18-46(38)62-50(41)30-34;1-3-2/h1-30H;3H2,1-2H3
• InChIKey: SJYVZVBJFOTBIF-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 83.02 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.97
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane?

The IUPAC name of 8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane (CID 142569627) is 8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane.

What is the SMILES notation for 8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane?

The canonical SMILES for 8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane is CCC.c1ccc2c(c1)ccc1c2c2cccc(-c3ccc4oc5ccccc5c4c3)c2n1-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2ccccc23)n1.

What is the InChIKey of 8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane?

The InChIKey is SJYVZVBJFOTBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4O3.C3H8/c1-2-11-35-31(10-1)22-26-44-51(35)42-16-9-15-36(32-23-27-48-43(28-32)39-14-5-8-19-47(39)60-48)52(42)59(44)55-57-53(33-20-24-40-37-12-3-6-17-45(37)61-49(40)29-33)56-54(58-55)34-21-25-41-38-13-4-7-18-46(38)62-50(41)30-34;1-3-2/h1-30H;3H2,1-2H3.

What are the key properties of 8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane?

8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane has a molecular weight of 838.97 g/mol, XLogP of 16.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane is sourced from PubChem (CID 142569627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).