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

C205H123N11O5S4 — CID 157059640

IUPAC2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)c6c5oc5ccccc56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)cc3)cc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3cccnc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C52H32N2OS.C51H29N3O2S.2C51H31N3OS/c1-3-11-33(12-4-1)34-19-23-36(24-20-34)45-32-46(54-52(53-45)38-13-5-2-6-14-38)37-25-21-35(22-26-37)41-29-28-40(50-43-16-7-9-17-47(43)55-51(41)50)39-27-30-49-44(31-39)42-15-8-10-18-48(42)56-49;1-2-11-31(12-3-1)49-52-50(54-51(53-49)40-17-10-16-38-36-13-4-7-18-42(36)55-47(38)40)32-23-21-30(22-24-32)35-27-26-34(46-39-15-5-8-19-43(39)56-48(35)46)33-25-28-45-41(29-33)37-14-6-9-20-44(37)57-45;1-2-10-34(11-3-1)51-53-44(30-45(54-51)37-13-8-12-35(28-37)38-14-9-27-52-31-38)33-21-19-32(20-22-33)40-25-24-39(49-42-16-4-6-17-46(42)55-50(40)49)36-23-26-48-43(29-36)41-15-5-7-18-47(41)56-48;1-2-11-34(12-3-1)51-53-44(30-45(54-51)40-15-5-4-14-37(40)36-13-10-28-52-31-36)33-22-20-32(21-23-33)39-26-25-38(49-42-17-6-8-18-46(42)55-50(39)49)35-24-27-48-43(29-35)41-16-7-9-19-47(41)56-48/h1-32H;1-29H;2*1-31H
InChIKeyABEHKUGYUQPPQS-UHFFFAOYSA-N
MW2948.58 g/mol
LogP57.40
Rot. Bonds23

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

2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 157059640) has the molecular formula C205H123N11O5S4 and a molecular weight of 2948.58 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID157059640
Molecular FormulaC205H123N11O5S4
Molecular Weight2948.58 g/mol
Exact Mass2945.86
IUPAC Name2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)c6c5oc5ccccc56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)cc3)cc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3cccnc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C52H32N2OS.C51H29N3O2S.2C51H31N3OS/c1-3-11-33(12-4-1)34-19-23-36(24-20-34)45-32-46(54-52(53-45)38-13-5-2-6-14-38)37-25-21-35(22-26-37)41-29-28-40(50-43-16-7-9-17-47(43)55-51(41)50)39-27-30-49-44(31-39)42-15-8-10-18-48(42)56-49;1-2-11-31(12-3-1)49-52-50(54-51(53-49)40-17-10-16-38-36-13-4-7-18-42(36)55-47(38)40)32-23-21-30(22-24-32)35-27-26-34(46-39-15-5-8-19-43(39)56-48(35)46)33-25-28-45-41(29-33)37-14-6-9-20-44(37)57-45;1-2-10-34(11-3-1)51-53-44(30-45(54-51)37-13-8-12-35(28-37)38-14-9-27-52-31-38)33-21-19-32(20-22-33)40-25-24-39(49-42-16-4-6-17-46(42)55-50(40)49)36-23-26-48-43(29-36)41-15-5-7-18-47(41)56-48;1-2-11-34(12-3-1)51-53-44(30-45(54-51)40-15-5-4-14-37(40)36-13-10-28-52-31-36)33-22-20-32(21-23-33)39-26-25-38(49-42-17-6-8-18-46(42)55-50(39)49)35-24-27-48-43(29-35)41-16-7-9-19-47(41)56-48/h1-32H;1-29H;2*1-31H
InChIKeyABEHKUGYUQPPQS-UHFFFAOYSA-N
XLogP57.40
TPSA207.49 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms225
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002948.58
LogP ≤ 557.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 157059640) is 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)c6c5oc5ccccc56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)cc3)cc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3cccnc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is ABEHKUGYUQPPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2OS.C51H29N3O2S.2C51H31N3OS/c1-3-11-33(12-4-1)34-19-23-36(24-20-34)45-32-46(54-52(53-45)38-13-5-2-6-14-38)37-25-21-35(22-26-37)41-29-28-40(50-43-16-7-9-17-47(43)55-51(41)50)39-27-30-49-44(31-39)42-15-8-10-18-48(42)56-49;1-2-11-31(12-3-1)49-52-50(54-51(53-49)40-17-10-16-38-36-13-4-7-18-42(36)55-47(38)40)32-23-21-30(22-24-32)35-27-26-34(46-39-15-5-8-19-43(39)56-48(35)46)33-25-28-45-41(29-33)37-14-6-9-20-44(37)57-45;1-2-10-34(11-3-1)51-53-44(30-45(54-51)37-13-8-12-35(28-37)38-14-9-27-52-31-38)33-21-19-32(20-22-33)40-25-24-39(49-42-16-4-6-17-46(42)55-50(40)49)36-23-26-48-43(29-36)41-15-5-7-18-47(41)56-48;1-2-11-34(12-3-1)51-53-44(30-45(54-51)40-15-5-4-14-37(40)36-13-10-28-52-31-36)33-22-20-32(21-23-33)39-26-25-38(49-42-17-6-8-18-46(42)55-50(39)49)35-24-27-48-43(29-35)41-16-7-9-19-47(41)56-48/h1-32H;1-29H;2*1-31H.
What are the key properties of 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 2948.58 g/mol, XLogP of 57.40, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 157059640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).