3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole

C85H48N6O3 — CID 126631997

About 3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole

3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 126631997) has the molecular formula C85H48N6O3 and a molecular weight of 1201.36 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 126631997
• Molecular Formula: C85H48N6O3
• Molecular Weight: 1201.36 g/mol
• Exact Mass: 1200.38
• IUPAC Name: 3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc2c(c1)oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc65)c5ccccc45)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)n3)ccc12
• InChI: InChI=1S/C85H48N6O3/c1-2-16-56-55(15-1)66(38-42-73(56)89-70-23-9-3-17-57(70)67-43-49(32-39-74(67)89)52-29-35-63-60-20-6-12-26-77(60)92-80(63)46-52)83-86-84(90-71-24-10-4-18-58(71)68-44-50(33-40-75(68)90)53-30-36-64-61-21-7-13-27-78(61)93-81(64)47-53)88-85(87-83)91-72-25-11-5-19-59(72)69-45-51(34-41-76(69)91)54-31-37-65-62-22-8-14-28-79(62)94-82(65)48-54/h1-48H
• InChIKey: LEEDTAWDTIGCCM-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 92.88 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1201.36
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole (CID 126631997) is 3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc65)c5ccccc45)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)n3)ccc12.

What is the InChIKey of 3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole?

The InChIKey is LEEDTAWDTIGCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H48N6O3/c1-2-16-56-55(15-1)66(38-42-73(56)89-70-23-9-3-17-57(70)67-43-49(32-39-74(67)89)52-29-35-63-60-20-6-12-26-77(60)92-80(63)46-52)83-86-84(90-71-24-10-4-18-58(71)68-44-50(33-40-75(68)90)53-30-36-64-61-21-7-13-27-78(61)93-81(64)47-53)88-85(87-83)91-72-25-11-5-19-59(72)69-45-51(34-41-76(69)91)54-31-37-65-62-22-8-14-28-79(62)94-82(65)48-54/h1-48H.

What are the key properties of 3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole?

3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1201.36 g/mol, XLogP of 22.68, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-3-yl-9-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 126631997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).