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

C44H24N4O2S — CID 155079026

IUPAC2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine
SMILESc1cncc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5sc6ccccc6c45)c4oc5ccccc5c34)n2)c1
InChIInChI=1S/C44H24N4O2S/c1-4-14-34-27(10-1)28-19-18-25(23-36(28)49-34)42-46-43(26-9-8-22-45-24-26)48-44(47-42)33-21-20-30(41-40(33)31-11-2-5-15-35(31)50-41)29-13-7-17-38-39(29)32-12-3-6-16-37(32)51-38/h1-24H
InChIKeySHQZETNQBIZTLH-UHFFFAOYSA-N
MW672.77 g/mol
LogP12.10
Rot. Bonds4

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

2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine (PubChem CID 155079026) has the molecular formula C44H24N4O2S and a molecular weight of 672.77 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine
PubChem CID155079026
Molecular FormulaC44H24N4O2S
Molecular Weight672.77 g/mol
Exact Mass672.16
IUPAC Name2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine
SMILESc1cncc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5sc6ccccc6c45)c4oc5ccccc5c34)n2)c1
InChIInChI=1S/C44H24N4O2S/c1-4-14-34-27(10-1)28-19-18-25(23-36(28)49-34)42-46-43(26-9-8-22-45-24-26)48-44(47-42)33-21-20-30(41-40(33)31-11-2-5-15-35(31)50-41)29-13-7-17-38-39(29)32-12-3-6-16-37(32)51-38/h1-24H
InChIKeySHQZETNQBIZTLH-UHFFFAOYSA-N
XLogP12.10
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.77
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155079474
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155077944
2-dibenzofuran-3-yl-4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-pyridin-3-yl-1,3,5-triazine
CID 155077776
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155077970
4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 155079435
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-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
4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 155078003
2,4-diphenyl-6-[9-(1-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199156
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
CID 155077751
4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155079041

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine (CID 155079026) is 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine is c1cncc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5sc6ccccc6c45)c4oc5ccccc5c34)n2)c1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine?
The InChIKey is SHQZETNQBIZTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O2S/c1-4-14-34-27(10-1)28-19-18-25(23-36(28)49-34)42-46-43(26-9-8-22-45-24-26)48-44(47-42)33-21-20-30(41-40(33)31-11-2-5-15-35(31)50-41)29-13-7-17-38-39(29)32-12-3-6-16-37(32)51-38/h1-24H.
What are the key properties of 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine has a molecular weight of 672.77 g/mol, XLogP of 12.10, 4 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-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine is sourced from PubChem (CID 155079026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).