4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine

C39H25N3O — CID 175594594

IUPAC4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
SMILESc1ccc(-c2nnnc(-c3ccccc3-c3ccccc3-c3cccc4oc5ccccc5c34)c2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3O/c1-3-14-26(15-4-1)36-38(27-16-5-2-6-17-27)40-42-41-39(36)32-21-10-9-20-30(32)28-18-7-8-19-29(28)31-23-13-25-35-37(31)33-22-11-12-24-34(33)43-35/h1-25H
InChIKeyZTGCVGWZFJIJKE-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.11
Rot. Bonds5

About 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine

4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine (PubChem CID 175594594) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine.

Molecular Properties

Compound Name4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
PubChem CID175594594
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
SMILESc1ccc(-c2nnnc(-c3ccccc3-c3ccccc3-c3cccc4oc5ccccc5c34)c2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3O/c1-3-14-26(15-4-1)36-38(27-16-5-2-6-17-27)40-42-41-39(36)32-21-10-9-20-30(32)28-18-7-8-19-29(28)31-23-13-25-35-37(31)33-22-11-12-24-34(33)43-35/h1-25H
InChIKeyZTGCVGWZFJIJKE-UHFFFAOYSA-N
XLogP10.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
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
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine
CID 175594593
4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134711
4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine
CID 175875594
4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine
CID 166133942
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole
CID 166134969
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole
CID 166134015

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine?
The IUPAC name of 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine (CID 175594594) is 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine.
What is the SMILES notation for 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine?
The canonical SMILES for 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine is c1ccc(-c2nnnc(-c3ccccc3-c3ccccc3-c3cccc4oc5ccccc5c34)c2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine?
The InChIKey is ZTGCVGWZFJIJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-3-14-26(15-4-1)36-38(27-16-5-2-6-17-27)40-42-41-39(36)32-21-10-9-20-30(32)28-18-7-8-19-29(28)31-23-13-25-35-37(31)33-22-11-12-24-34(33)43-35/h1-25H.
What are the key properties of 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine?
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine has a molecular weight of 551.65 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine is sourced from PubChem (CID 175594594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).