5-dibenzofuran-1-yl-4,6-diphenyltriazine

C27H17N3O — CID 175810934

IUPAC5-dibenzofuran-1-yl-4,6-diphenyltriazine
SMILESc1ccc(-c2nnnc(-c3ccccc3)c2-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C27H17N3O/c1-3-10-18(11-4-1)26-25(27(29-30-28-26)19-12-5-2-6-13-19)21-15-9-17-23-24(21)20-14-7-8-16-22(20)31-23/h1-17H
InChIKeyHRTZJUPPDAZQNY-UHFFFAOYSA-N
MW399.45 g/mol
LogP6.77
Rot. Bonds3

About 5-dibenzofuran-1-yl-4,6-diphenyltriazine

5-dibenzofuran-1-yl-4,6-diphenyltriazine (PubChem CID 175810934) has the molecular formula C27H17N3O and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-dibenzofuran-1-yl-4,6-diphenyltriazine.

Molecular Properties

Compound Name5-dibenzofuran-1-yl-4,6-diphenyltriazine
PubChem CID175810934
Molecular FormulaC27H17N3O
Molecular Weight399.45 g/mol
Exact Mass399.14
IUPAC Name5-dibenzofuran-1-yl-4,6-diphenyltriazine
SMILESc1ccc(-c2nnnc(-c3ccccc3)c2-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C27H17N3O/c1-3-10-18(11-4-1)26-25(27(29-30-28-26)19-12-5-2-6-13-19)21-15-9-17-23-24(21)20-14-7-8-16-22(20)31-23/h1-17H
InChIKeyHRTZJUPPDAZQNY-UHFFFAOYSA-N
XLogP6.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134711
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134431
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole
CID 166134015
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole
CID 166134655
1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347086
1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole
CID 166134969
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-1-yl-4,6-diphenyltriazine?
The IUPAC name of 5-dibenzofuran-1-yl-4,6-diphenyltriazine (CID 175810934) is 5-dibenzofuran-1-yl-4,6-diphenyltriazine.
What is the SMILES notation for 5-dibenzofuran-1-yl-4,6-diphenyltriazine?
The canonical SMILES for 5-dibenzofuran-1-yl-4,6-diphenyltriazine is c1ccc(-c2nnnc(-c3ccccc3)c2-c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 5-dibenzofuran-1-yl-4,6-diphenyltriazine?
The InChIKey is HRTZJUPPDAZQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O/c1-3-10-18(11-4-1)26-25(27(29-30-28-26)19-12-5-2-6-13-19)21-15-9-17-23-24(21)20-14-7-8-16-22(20)31-23/h1-17H.
What are the key properties of 5-dibenzofuran-1-yl-4,6-diphenyltriazine?
5-dibenzofuran-1-yl-4,6-diphenyltriazine has a molecular weight of 399.45 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-1-yl-4,6-diphenyltriazine is sourced from PubChem (CID 175810934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).