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

C39H23N3O2 — CID 166741910

IUPAC2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C39H23N3O2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)31-23-22-29(36-34(31)30-17-8-10-21-33(30)44-36)28-19-11-18-27-26-16-7-9-20-32(26)43-35(27)28/h1-23H
InChIKeySBOKHWWFIYPZHS-UHFFFAOYSA-N
MW565.63 g/mol
LogP10.34
Rot. Bonds4

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

2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 166741910) has the molecular formula C39H23N3O2 and a molecular weight of 565.63 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID166741910
Molecular FormulaC39H23N3O2
Molecular Weight565.63 g/mol
Exact Mass565.18
IUPAC Name2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C39H23N3O2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)31-23-22-29(36-34(31)30-17-8-10-21-33(30)44-36)28-19-11-18-27-26-16-7-9-20-32(26)43-35(27)28/h1-23H
InChIKeySBOKHWWFIYPZHS-UHFFFAOYSA-N
XLogP10.34
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.63
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078421
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742287
2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741050
2-(4-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166739181
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078181
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2-dibenzofuran-4-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853441
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 166741910) is 2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4ccccc45)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SBOKHWWFIYPZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3O2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)31-23-22-29(36-34(31)30-17-8-10-21-33(30)44-36)28-19-11-18-27-26-16-7-9-20-32(26)43-35(27)28/h1-23H.
What are the key properties of 2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 565.63 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 166741910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).