9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole

C58H36N4O2 — CID 166699724

About 9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole

9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 166699724) has the molecular formula C58H36N4O2 and a molecular weight of 820.95 g/mol. Its IUPAC name is 9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 166699724
• Molecular Formula: C58H36N4O2
• Molecular Weight: 820.95 g/mol
• Exact Mass: 820.28
• IUPAC Name: 9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc2c(c1)-c1cc3ccccc3cc1CCC2c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)c2c1oc1ccccc12
• InChI: InChI=1S/C58H36N4O2/c1-2-14-35-32-48-36(31-34(35)13-1)25-27-40(38-15-3-4-16-39(38)48)45-29-30-47(54-46-20-8-12-24-52(46)64-55(45)54)57-59-56(37-26-28-44-43-19-7-11-23-51(43)63-53(44)33-37)60-58(61-57)62-49-21-9-5-17-41(49)42-18-6-10-22-50(42)62/h1-24,26,28-33,40H,25,27H2
• InChIKey: FRDIPWKAYPNLPJ-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.95
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole (CID 166699724) is 9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)-c1cc3ccccc3cc1CCC2c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)c2c1oc1ccccc12.

What is the InChIKey of 9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole?

The InChIKey is FRDIPWKAYPNLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O2/c1-2-14-35-32-48-36(31-34(35)13-1)25-27-40(38-15-3-4-16-39(38)48)45-29-30-47(54-46-20-8-12-24-52(46)64-55(45)54)57-59-56(37-26-28-44-43-19-7-11-23-51(43)63-53(44)33-37)60-58(61-57)62-49-21-9-5-17-41(49)42-18-6-10-22-50(42)62/h1-24,26,28-33,40H,25,27H2.

What are the key properties of 9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole?

9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 820.95 g/mol, XLogP of 15.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166699724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).