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

C56H32N4O2S — CID 155077970

IUPAC2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)c6c5oc5ccccc56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)c1
InChIInChI=1S/C56H32N4O2S/c1-4-15-47-40(10-1)41-27-26-37(31-49(41)61-47)56-59-54(35-22-18-33(19-23-35)38-9-8-30-57-32-38)58-55(60-56)36-24-20-34(21-25-36)39-28-29-43(51-46-12-2-5-16-48(46)62-52(39)51)45-14-7-13-44-42-11-3-6-17-50(42)63-53(44)45/h1-32H
InChIKeyPMRJXSIBEKFNQY-UHFFFAOYSA-N
MW824.96 g/mol
LogP15.44
Rot. Bonds6

About 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-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 155077970) has the molecular formula C56H32N4O2S and a molecular weight of 824.96 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID155077970
Molecular FormulaC56H32N4O2S
Molecular Weight824.96 g/mol
Exact Mass824.22
IUPAC Name2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)c6c5oc5ccccc56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)c1
InChIInChI=1S/C56H32N4O2S/c1-4-15-47-40(10-1)41-27-26-37(31-49(41)61-47)56-59-54(35-22-18-33(19-23-35)38-9-8-30-57-32-38)58-55(60-56)36-24-20-34(21-25-36)39-28-29-43(51-46-12-2-5-16-48(46)62-52(39)51)45-14-7-13-44-42-11-3-6-17-50(42)63-53(44)45/h1-32H
InChIKeyPMRJXSIBEKFNQY-UHFFFAOYSA-N
XLogP15.44
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.96
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 155078564
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-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155078918
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine
CID 155079026
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-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 176773463
2-dibenzofuran-3-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952304
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
CID 155077751

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 155077970) is 2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is c1cncc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)c6c5oc5ccccc56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)c1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is PMRJXSIBEKFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N4O2S/c1-4-15-47-40(10-1)41-27-26-37(31-49(41)61-47)56-59-54(35-22-18-33(19-23-35)38-9-8-30-57-32-38)58-55(60-56)36-24-20-34(21-25-36)39-28-29-43(51-46-12-2-5-16-48(46)62-52(39)51)45-14-7-13-44-42-11-3-6-17-50(42)63-53(44)45/h1-32H.
What are the key properties of 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-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 824.96 g/mol, XLogP of 15.44, 6 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-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155077970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).