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

C44H26N4OS — CID 159024205

IUPAC2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4oc5c(-c6ccc(-c7ccccn7)cc6)cccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H26N4OS/c1-2-11-29(12-3-1)42-46-43(48-44(47-42)34-17-10-21-38-40(34)31-13-4-5-20-37(31)50-38)33-16-9-19-36-39(33)32-15-8-14-30(41(32)49-36)27-22-24-28(25-23-27)35-18-6-7-26-45-35/h1-26H
InChIKeyJUBWREIJJQXKET-UHFFFAOYSA-N
MW658.79 g/mol
LogP11.87
Rot. Bonds5

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

2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 159024205) has the molecular formula C44H26N4OS and a molecular weight of 658.79 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID159024205
Molecular FormulaC44H26N4OS
Molecular Weight658.79 g/mol
Exact Mass658.18
IUPAC Name2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4oc5c(-c6ccc(-c7ccccn7)cc6)cccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H26N4OS/c1-2-11-29(12-3-1)42-46-43(48-44(47-42)34-17-10-21-38-40(34)31-13-4-5-20-37(31)50-38)33-16-9-19-36-39(33)32-15-8-14-30(41(32)49-36)27-22-24-28(25-23-27)35-18-6-7-26-45-35/h1-26H
InChIKeyJUBWREIJJQXKET-UHFFFAOYSA-N
XLogP11.87
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.79
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079038
4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079072
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353224
2-dibenzothiophen-2-yl-4-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742461
2-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153263520
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381
2,4-diphenyl-6-[9-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170198434
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 158190451
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 139548908
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079454
2-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]-1,3-benzothiazole
CID 149158091
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 159024205) is 2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4oc5c(-c6ccc(-c7ccccn7)cc6)cccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is JUBWREIJJQXKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4OS/c1-2-11-29(12-3-1)42-46-43(48-44(47-42)34-17-10-21-38-40(34)31-13-4-5-20-37(31)50-38)33-16-9-19-36-39(33)32-15-8-14-30(41(32)49-36)27-22-24-28(25-23-27)35-18-6-7-26-45-35/h1-26H.
What are the key properties of 2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 658.79 g/mol, XLogP of 11.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 159024205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).