2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine

C50H28N4O2S — CID 155077944

IUPAC2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccccc2-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)c1
InChIInChI=1S/C50H28N4O2S/c1-2-15-38(31(12-1)30-11-10-26-51-28-30)49-52-48(29-22-23-33-32-13-3-6-19-41(32)55-43(33)27-29)53-50(54-49)40-25-24-35(46-45(40)39-16-4-7-20-42(39)56-46)37-18-9-17-36-34-14-5-8-21-44(34)57-47(36)37/h1-28H
InChIKeyJYKQAUYWIOXZMK-UHFFFAOYSA-N
MW748.87 g/mol
LogP13.77
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 155077944) has the molecular formula C50H28N4O2S and a molecular weight of 748.87 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID155077944
Molecular FormulaC50H28N4O2S
Molecular Weight748.87 g/mol
Exact Mass748.19
IUPAC Name2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccccc2-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)c1
InChIInChI=1S/C50H28N4O2S/c1-2-15-38(31(12-1)30-11-10-26-51-28-30)49-52-48(29-22-23-33-32-13-3-6-19-41(32)55-43(33)27-29)53-50(54-49)40-25-24-35(46-45(40)39-16-4-7-20-42(39)56-46)37-18-9-17-36-34-14-5-8-21-44(34)57-47(36)37/h1-28H
InChIKeyJYKQAUYWIOXZMK-UHFFFAOYSA-N
XLogP13.77
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.87
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
CID 159359040
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155077970
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine
CID 155079026
2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743560
4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 155077962
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155603342
2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155078938
2-dibenzofuran-3-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155078918
2-dibenzofuran-3-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952304
2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 155078564
2-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155079474
2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine (CID 155077944) is 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine is c1cncc(-c2ccccc2-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)c1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is JYKQAUYWIOXZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4O2S/c1-2-15-38(31(12-1)30-11-10-26-51-28-30)49-52-48(29-22-23-33-32-13-3-6-19-41(32)55-43(33)27-29)53-50(54-49)40-25-24-35(46-45(40)39-16-4-7-20-42(39)56-46)37-18-9-17-36-34-14-5-8-21-44(34)57-47(36)37/h1-28H.
What are the key properties of 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 748.87 g/mol, XLogP of 13.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155077944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).