1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole

C57H36N4O2 — CID 159961924

About 1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole

1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole (PubChem CID 159961924) has the molecular formula C57H36N4O2 and a molecular weight of 808.94 g/mol. Its IUPAC name is 1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole.

Molecular Properties

• Compound Name: 1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole
• PubChem CID: 159961924
• Molecular Formula: C57H36N4O2
• Molecular Weight: 808.94 g/mol
• Exact Mass: 808.28
• IUPAC Name: 1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole
• SMILES: C1=Cc2c(oc3ccccc23)C(c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6cccc7c8cc(-c9ccccc9)ccc8n(-c8ccccc8)c67)cc5c4c3)n2)C1
• InChI: InChI=1S/C57H36N4O2/c1-4-14-35(15-5-1)37-26-29-49-46(32-37)43-22-12-21-41(53(43)61(49)40-18-8-3-9-19-40)38-27-30-51-47(33-38)48-34-39(28-31-52(48)62-51)56-58-55(36-16-6-2-7-17-36)59-57(60-56)45-24-13-23-44-42-20-10-11-25-50(42)63-54(44)45/h1-23,25-34,45H,24H2
• InChIKey: ODLDPHAZUZNJQU-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.94
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole?

The IUPAC name of 1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole (CID 159961924) is 1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole.

What is the SMILES notation for 1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole?

The canonical SMILES for 1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole is C1=Cc2c(oc3ccccc23)C(c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6cccc7c8cc(-c9ccccc9)ccc8n(-c8ccccc8)c67)cc5c4c3)n2)C1.

What is the InChIKey of 1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole?

The InChIKey is ODLDPHAZUZNJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O2/c1-4-14-35(15-5-1)37-26-29-49-46(32-37)43-22-12-21-41(53(43)61(49)40-18-8-3-9-19-40)38-27-30-51-47(33-38)48-34-39(28-31-52(48)62-51)56-58-55(36-16-6-2-7-17-36)59-57(60-56)45-24-13-23-44-42-20-10-11-25-50(42)63-54(44)45/h1-23,25-34,45H,24H2.

What are the key properties of 1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole?

1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole has a molecular weight of 808.94 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-[4-(3,4-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 159961924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).