2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine

C35H21N3O — CID 163770145

IUPAC2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESc1ccc2c(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)cccc2c1
InChIInChI=1S/C35H21N3O/c1-3-14-24-22(10-1)12-7-17-26(24)33-36-34(27-18-8-13-23-11-2-4-15-25(23)27)38-35(37-33)29-19-9-21-31-32(29)28-16-5-6-20-30(28)39-31/h1-21H
InChIKeyJRVGLXCEBIQAKI-UHFFFAOYSA-N
MW499.57 g/mol
LogP9.08
Rot. Bonds3

About 2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine

2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine (PubChem CID 163770145) has the molecular formula C35H21N3O and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
PubChem CID163770145
Molecular FormulaC35H21N3O
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESc1ccc2c(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)cccc2c1
InChIInChI=1S/C35H21N3O/c1-3-14-24-22(10-1)12-7-17-26(24)33-36-34(27-18-8-13-23-11-2-4-15-25(23)27)38-35(37-33)29-19-9-21-31-32(29)28-16-5-6-20-30(28)39-31/h1-21H
InChIKeyJRVGLXCEBIQAKI-UHFFFAOYSA-N
XLogP9.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 168731930
2,4-di(dibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 165043779
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767
2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 171054302
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304343
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 169278676
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176616874
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775447
2-dibenzofuran-1-yl-4-phenyl-6-[5-(6-phenylnaphthalen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176766233

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine (CID 163770145) is 2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine is c1ccc2c(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)cccc2c1.
What is the InChIKey of 2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The InChIKey is JRVGLXCEBIQAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O/c1-3-14-24-22(10-1)12-7-17-26(24)33-36-34(27-18-8-13-23-11-2-4-15-25(23)27)38-35(37-33)29-19-9-21-31-32(29)28-16-5-6-20-30(28)39-31/h1-21H.
What are the key properties of 2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine?
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine has a molecular weight of 499.57 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine is sourced from PubChem (CID 163770145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).