9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine

C42H22N4O2 — CID 166801679

About 9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine

9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 166801679) has the molecular formula C42H22N4O2 and a molecular weight of 614.66 g/mol. Its IUPAC name is 9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

• Compound Name: 9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
• PubChem CID: 166801679
• Molecular Formula: C42H22N4O2
• Molecular Weight: 614.66 g/mol
• Exact Mass: 614.17
• IUPAC Name: 9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
• SMILES: c1ccc2c(c1)-c1cccc3c(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cccc6oc7ccncc7c56)n4)ccc-2c13
• InChI: InChI=1S/C42H22N4O2/c1-2-9-24-23(8-1)25-11-5-12-26-28(19-18-27(24)37(25)26)40-44-41(30-13-6-16-35-38(30)29-10-3-4-15-33(29)47-35)46-42(45-40)31-14-7-17-36-39(31)32-22-43-21-20-34(32)48-36/h1-22H
• InChIKey: ALTDAAVZONMNCC-UHFFFAOYSA-N
• XLogP: 10.87
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.66
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine?

The IUPAC name of 9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine (CID 166801679) is 9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine.

What is the SMILES notation for 9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine?

The canonical SMILES for 9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine is c1ccc2c(c1)-c1cccc3c(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cccc6oc7ccncc7c56)n4)ccc-2c13.

What is the InChIKey of 9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine?

The InChIKey is ALTDAAVZONMNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H22N4O2/c1-2-9-24-23(8-1)25-11-5-12-26-28(19-18-27(24)37(25)26)40-44-41(30-13-6-16-35-38(30)29-10-3-4-15-33(29)47-35)46-42(45-40)31-14-7-17-36-39(31)32-22-43-21-20-34(32)48-36/h1-22H.

What are the key properties of 9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine?

9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine has a molecular weight of 614.66 g/mol, XLogP of 10.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 166801679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).