6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine

C39H25N3O2 — CID 166961200

IUPAC6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc4oc5c(-c6ccc7oc8ccccc8c7c6)cccc5c4c3)=N2)cc1
InChIInChI=1S/C39H25N3O2/c1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)27-19-21-35-32(23-27)30-16-9-15-28(36(30)44-35)26-18-20-34-31(22-26)29-14-7-8-17-33(29)43-34/h1-23,37H,(H,40,41,42)
InChIKeyABUCJSJMCCJXTI-UHFFFAOYSA-N
MW567.65 g/mol
LogP9.65
Rot. Bonds4

About 6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine

6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 166961200) has the molecular formula C39H25N3O2 and a molecular weight of 567.65 g/mol. Its IUPAC name is 6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID166961200
Molecular FormulaC39H25N3O2
Molecular Weight567.65 g/mol
Exact Mass567.19
IUPAC Name6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc4oc5c(-c6ccc7oc8ccccc8c7c6)cccc5c4c3)=N2)cc1
InChIInChI=1S/C39H25N3O2/c1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)27-19-21-35-32(23-27)30-16-9-15-28(36(30)44-35)26-18-20-34-31(22-26)29-14-7-8-17-33(29)43-34/h1-23,37H,(H,40,41,42)
InChIKeyABUCJSJMCCJXTI-UHFFFAOYSA-N
XLogP9.65
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.65
LogP ≤ 59.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163775017
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156575051
4-dibenzofuran-2-yl-2-phenyl-6-[8-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,2-dihydro-1,3,5-triazine
CID 155002341
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 136598017
2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 146407693
4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 137301524
5-[3-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155002339

Frequently Asked Questions

What is the IUPAC name of 6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine (CID 166961200) is 6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)NC(c3ccc4oc5c(-c6ccc7oc8ccccc8c7c6)cccc5c4c3)=N2)cc1.
What is the InChIKey of 6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is ABUCJSJMCCJXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O2/c1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)27-19-21-35-32(23-27)30-16-9-15-28(36(30)44-35)26-18-20-34-31(22-26)29-14-7-8-17-33(29)43-34/h1-23,37H,(H,40,41,42).
What are the key properties of 6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 567.65 g/mol, XLogP of 9.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 166961200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).