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

C256H156N14O5S5 — CID 157171552

IUPAC4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3ccccc3-c3cccnc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)c6oc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)c6oc7ccccc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3ccccc3-c3cccnc3)n2)cc1
InChIInChI=1S/2C52H32N2OS.2C51H31N3OS.C50H30N4OS/c1-3-12-33(13-4-1)34-22-28-38(29-23-34)52-53-44(36-14-5-2-6-15-36)32-45(54-52)37-26-24-35(25-27-37)39-30-31-41(51-50(39)42-16-7-9-19-46(42)55-51)40-18-11-21-48-49(40)43-17-8-10-20-47(43)56-48;1-3-12-33(13-4-1)34-22-26-36(27-23-34)44-32-45(54-52(53-44)38-14-5-2-6-15-38)37-28-24-35(25-29-37)39-30-31-41(51-50(39)42-16-7-9-19-46(42)55-51)40-18-11-21-48-49(40)43-17-8-10-20-47(43)56-48;1-2-11-33(12-3-1)43-30-44(54-51(53-43)36-14-8-13-35(29-36)37-15-10-28-52-31-37)34-24-22-32(23-25-34)38-26-27-40(50-49(38)41-16-4-6-19-45(41)55-50)39-18-9-21-47-48(39)42-17-5-7-20-46(42)56-47;1-2-12-33(13-3-1)43-30-44(54-51(53-43)40-16-5-4-15-36(40)35-14-11-29-52-31-35)34-25-23-32(24-26-34)37-27-28-39(50-49(37)41-17-6-8-20-45(41)55-50)38-19-10-22-47-48(38)42-18-7-9-21-46(42)56-47;1-2-12-32(13-3-1)48-52-49(54-50(53-48)39-16-5-4-15-35(39)34-14-11-29-51-30-34)33-25-23-31(24-26-33)36-27-28-38(47-46(36)40-17-6-8-20-42(40)55-47)37-19-10-22-44-45(37)41-18-7-9-21-43(41)56-44/h2*1-32H;2*1-31H;1-30H
InChIKeyANNHBKOBHPZIDN-UHFFFAOYSA-N
MW3668.49 g/mol
LogP71.31
Rot. Bonds30

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

4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 157171552) has the molecular formula C256H156N14O5S5 and a molecular weight of 3668.49 g/mol. Its IUPAC name is 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID157171552
Molecular FormulaC256H156N14O5S5
Molecular Weight3668.49 g/mol
Exact Mass3665.10
IUPAC Name4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3ccccc3-c3cccnc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)c6oc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)c6oc7ccccc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3ccccc3-c3cccnc3)n2)cc1
InChIInChI=1S/2C52H32N2OS.2C51H31N3OS.C50H30N4OS/c1-3-12-33(13-4-1)34-22-28-38(29-23-34)52-53-44(36-14-5-2-6-15-36)32-45(54-52)37-26-24-35(25-27-37)39-30-31-41(51-50(39)42-16-7-9-19-46(42)55-51)40-18-11-21-48-49(40)43-17-8-10-20-47(43)56-48;1-3-12-33(13-4-1)34-22-26-36(27-23-34)44-32-45(54-52(53-44)38-14-5-2-6-15-38)37-28-24-35(25-29-37)39-30-31-41(51-50(39)42-16-7-9-19-46(42)55-51)40-18-11-21-48-49(40)43-17-8-10-20-47(43)56-48;1-2-11-33(12-3-1)43-30-44(54-51(53-43)36-14-8-13-35(29-36)37-15-10-28-52-31-37)34-24-22-32(23-25-34)38-26-27-40(50-49(38)41-16-4-6-19-45(41)55-50)39-18-9-21-47-48(39)42-17-5-7-20-46(42)56-47;1-2-12-33(13-3-1)43-30-44(54-51(53-43)40-16-5-4-15-36(40)35-14-11-29-52-31-35)34-25-23-32(24-26-34)37-27-28-39(50-49(37)41-17-6-8-20-45(41)55-50)38-19-10-22-47-48(38)42-18-7-9-21-46(42)56-47;1-2-12-32(13-3-1)48-52-49(54-50(53-48)39-16-5-4-15-35(39)34-14-11-29-51-30-34)33-25-23-31(24-26-33)36-27-28-38(47-46(36)40-17-6-8-20-42(40)55-47)37-19-10-22-44-45(37)41-18-7-9-21-43(41)56-44/h2*1-32H;2*1-31H;1-30H
InChIKeyANNHBKOBHPZIDN-UHFFFAOYSA-N
XLogP71.31
TPSA246.16 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms280
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003668.49
LogP ≤ 571.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine (CID 157171552) is 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3ccccc3-c3cccnc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)c6oc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)c6oc7ccccc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)nc(-c3ccccc3-c3cccnc3)n2)cc1.
What is the InChIKey of 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is ANNHBKOBHPZIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H32N2OS.2C51H31N3OS.C50H30N4OS/c1-3-12-33(13-4-1)34-22-28-38(29-23-34)52-53-44(36-14-5-2-6-15-36)32-45(54-52)37-26-24-35(25-27-37)39-30-31-41(51-50(39)42-16-7-9-19-46(42)55-51)40-18-11-21-48-49(40)43-17-8-10-20-47(43)56-48;1-3-12-33(13-4-1)34-22-26-36(27-23-34)44-32-45(54-52(53-44)38-14-5-2-6-15-38)37-28-24-35(25-29-37)39-30-31-41(51-50(39)42-16-7-9-19-46(42)55-51)40-18-11-21-48-49(40)43-17-8-10-20-47(43)56-48;1-2-11-33(12-3-1)43-30-44(54-51(53-43)36-14-8-13-35(29-36)37-15-10-28-52-31-37)34-24-22-32(23-25-34)38-26-27-40(50-49(38)41-16-4-6-19-45(41)55-50)39-18-9-21-47-48(39)42-17-5-7-20-46(42)56-47;1-2-12-33(13-3-1)43-30-44(54-51(53-43)40-16-5-4-15-36(40)35-14-11-29-52-31-35)34-25-23-32(24-26-34)37-27-28-39(50-49(37)41-17-6-8-20-45(41)55-50)38-19-10-22-47-48(38)42-18-7-9-21-46(42)56-47;1-2-12-32(13-3-1)48-52-49(54-50(53-48)39-16-5-4-15-35(39)34-14-11-29-51-30-34)33-25-23-31(24-26-33)36-27-28-38(47-46(36)40-17-6-8-20-42(40)55-47)37-19-10-22-44-45(37)41-18-7-9-21-43(41)56-44/h2*1-32H;2*1-31H;1-30H.
What are the key properties of 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine?
4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 3668.49 g/mol, XLogP of 71.31, 30 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 157171552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).