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

C38H22N4O2 — CID 168785062

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4oc5c(-c6cccc7c6oc6ccccc67)cccc5c34)n2)cc1
InChIInChI=1S/C38H22N4O2/c1-3-11-23(12-4-1)36-40-37(24-13-5-2-6-14-24)42-38(41-36)30-21-39-22-32-33(30)29-19-10-18-28(35(29)44-32)27-17-9-16-26-25-15-7-8-20-31(25)43-34(26)27/h1-22H
InChIKeyYQXKOERXLOXDPN-UHFFFAOYSA-N
MW566.62 g/mol
LogP9.73
Rot. Bonds4

About 8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine

8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 168785062) has the molecular formula C38H22N4O2 and a molecular weight of 566.62 g/mol. Its IUPAC name is 8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID168785062
Molecular FormulaC38H22N4O2
Molecular Weight566.62 g/mol
Exact Mass566.17
IUPAC Name8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4oc5c(-c6cccc7c6oc6ccccc67)cccc5c34)n2)cc1
InChIInChI=1S/C38H22N4O2/c1-3-11-23(12-4-1)36-40-37(24-13-5-2-6-14-24)42-38(41-36)30-21-39-22-32-33(30)29-19-10-18-28(35(29)44-32)27-17-9-16-26-25-15-7-8-20-31(25)43-34(26)27/h1-22H
InChIKeyYQXKOERXLOXDPN-UHFFFAOYSA-N
XLogP9.73
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.62
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine (CID 168785062) is 8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4oc5c(-c6cccc7c6oc6ccccc67)cccc5c34)n2)cc1.
What is the InChIKey of 8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is YQXKOERXLOXDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O2/c1-3-11-23(12-4-1)36-40-37(24-13-5-2-6-14-24)42-38(41-36)30-21-39-22-32-33(30)29-19-10-18-28(35(29)44-32)27-17-9-16-26-25-15-7-8-20-31(25)43-34(26)27/h1-22H.
What are the key properties of 8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 566.62 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168785062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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